1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane)

C108H192F3N3 — CID 158293882

IUPAC1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane)
SMILESCCC(C)(CC)c1cc(C)c(C)cn1.CCC(C)(CC)c1cc(F)c(C)c(F)c1.CCC(C)(CC)c1ccc(C)c(C)c1.CCC(C)(CC)c1ccc(C)c(C)c1.CCC(C)(CC)c1ccc(C)nc1.CCC(C)(CC)c1cnc(C)c(F)c1.CCCCC.CCCCC.CCCCC.CCCCC.CCCCC.CCCCC
InChIInChI=1S/2C14H22.C13H18F2.C13H21N.C12H18FN.C12H19N.6C5H12/c2*1-6-14(5,7-2)13-9-8-11(3)12(4)10-13;1-5-13(4,6-2)10-7-11(14)9(3)12(15)8-10;1-6-13(5,7-2)12-8-10(3)11(4)9-14-12;1-5-12(4,6-2)10-7-11(13)9(3)14-8-10;1-5-12(4,6-2)11-8-7-10(3)13-9-11;6*1-3-5-4-2/h2*8-10H,6-7H2,1-5H3;7-8H,5-6H2,1-4H3;8-9H,6-7H2,1-5H3;7-8H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;6*3-5H2,1-2H3
InChIKeyGLRHHNQCPWCFRP-UHFFFAOYSA-N
MW1589.74 g/mol
LogP37.14
Rot. Bonds30

About 1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane)

1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane) (PubChem CID 158293882) has the molecular formula C108H192F3N3 and a molecular weight of 1589.74 g/mol. Its IUPAC name is 1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane).

Molecular Properties

Compound Name1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane)
PubChem CID158293882
Molecular FormulaC108H192F3N3
Molecular Weight1589.74 g/mol
Exact Mass1588.51
IUPAC Name1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane)
SMILESCCC(C)(CC)c1cc(C)c(C)cn1.CCC(C)(CC)c1cc(F)c(C)c(F)c1.CCC(C)(CC)c1ccc(C)c(C)c1.CCC(C)(CC)c1ccc(C)c(C)c1.CCC(C)(CC)c1ccc(C)nc1.CCC(C)(CC)c1cnc(C)c(F)c1.CCCCC.CCCCC.CCCCC.CCCCC.CCCCC.CCCCC
InChIInChI=1S/2C14H22.C13H18F2.C13H21N.C12H18FN.C12H19N.6C5H12/c2*1-6-14(5,7-2)13-9-8-11(3)12(4)10-13;1-5-13(4,6-2)10-7-11(14)9(3)12(15)8-10;1-6-13(5,7-2)12-8-10(3)11(4)9-14-12;1-5-12(4,6-2)10-7-11(13)9(3)14-8-10;1-5-12(4,6-2)11-8-7-10(3)13-9-11;6*1-3-5-4-2/h2*8-10H,6-7H2,1-5H3;7-8H,5-6H2,1-4H3;8-9H,6-7H2,1-5H3;7-8H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;6*3-5H2,1-2H3
InChIKeyGLRHHNQCPWCFRP-UHFFFAOYSA-N
XLogP37.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds30
Heavy Atoms114
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001589.74
LogP ≤ 537.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane) with MolForge

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Related Compounds

2,5-bis(3-methylpentan-3-yl)pyridine;1-fluoro-3-methyl-2,5-bis(3-methylpentan-3-yl)benzene;2-methyl-1,4-bis(3-methylpentan-3-yl)benzene
CID 157310746
4-tert-butyl-1,2-dimethylbenzene;2-tert-butyl-4,5-dimethylpyridine;5-tert-butyl-1-fluoro-2,3-dimethylbenzene;4-tert-butyl-2-isocyano-1-methylbenzene;1-tert-butyl-4-methylbenzene;5-tert-butyl-2-methylpyridine;5-tert-butyl-1,2,3-trimethylbenzene
CID 158560172
1-methyl-4-(3-methylheptan-3-yl)-2-(trifluoromethyl)benzene
CID 146270322
1-tert-butyl-2-fluoro-4-(3-methylpentan-3-yl)benzene
CID 126704074
5-tert-butyl-2-methylpyridine;methane
CID 157425273
5-tert-butyl-2-methylpyridine;ethane
CID 162055015
[difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane
CID 170234409
5-methyl-2-(3-methylhexan-3-yl)pyridine
CID 170075857
2-tert-butyl-5-fluoro-4-methylpyridine
CID 59286667
5-(1,1-difluoroethyl)-2-methylpyridine;ethane
CID 145136619
2-tert-butyl-4-(3-methylpentan-3-yl)pyridine
CID 71154792
1,1,1-trifluoro-2-(6-methyl-3-pyridinyl)propan-2-ol
CID 127018337

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane)?
The IUPAC name of 1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane) (CID 158293882) is 1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane).
What is the SMILES notation for 1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane)?
The canonical SMILES for 1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane) is CCC(C)(CC)c1cc(C)c(C)cn1.CCC(C)(CC)c1cc(F)c(C)c(F)c1.CCC(C)(CC)c1ccc(C)c(C)c1.CCC(C)(CC)c1ccc(C)c(C)c1.CCC(C)(CC)c1ccc(C)nc1.CCC(C)(CC)c1cnc(C)c(F)c1.CCCCC.CCCCC.CCCCC.CCCCC.CCCCC.CCCCC.
What is the InChIKey of 1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane)?
The InChIKey is GLRHHNQCPWCFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H22.C13H18F2.C13H21N.C12H18FN.C12H19N.6C5H12/c2*1-6-14(5,7-2)13-9-8-11(3)12(4)10-13;1-5-13(4,6-2)10-7-11(14)9(3)12(15)8-10;1-6-13(5,7-2)12-8-10(3)11(4)9-14-12;1-5-12(4,6-2)10-7-11(13)9(3)14-8-10;1-5-12(4,6-2)11-8-7-10(3)13-9-11;6*1-3-5-4-2/h2*8-10H,6-7H2,1-5H3;7-8H,5-6H2,1-4H3;8-9H,6-7H2,1-5H3;7-8H,5-6H2,1-4H3;7-9H,5-6H2,1-4H3;6*3-5H2,1-2H3.
What are the key properties of 1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane)?
1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane) has a molecular weight of 1589.74 g/mol, XLogP of 37.14, 30 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methyl-5-(3-methylpentan-3-yl)benzene;bis(1,2-dimethyl-4-(3-methylpentan-3-yl)benzene);4,5-dimethyl-2-(3-methylpentan-3-yl)pyridine;3-fluoro-2-methyl-5-(3-methylpentan-3-yl)pyridine;2-methyl-5-(3-methylpentan-3-yl)pyridine;hexakis(pentane) is sourced from PubChem (CID 158293882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).