1,2-difluoro-4-(2-methyloctan-2-yl)benzene

C15H22F2 — CID 146181426

IUPAC1,2-difluoro-4-(2-methyloctan-2-yl)benzene
SMILESCCCCCCC(C)(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2/c1-4-5-6-7-10-15(2,3)12-8-9-13(16)14(17)11-12/h8-9,11H,4-7,10H2,1-3H3
InChIKeyQOMZEELUBQIELR-UHFFFAOYSA-N
MW240.34 g/mol
LogP5.21
Rot. Bonds6

About 1,2-difluoro-4-(2-methyloctan-2-yl)benzene

1,2-difluoro-4-(2-methyloctan-2-yl)benzene (PubChem CID 146181426) has the molecular formula C15H22F2 and a molecular weight of 240.34 g/mol. Its IUPAC name is 1,2-difluoro-4-(2-methyloctan-2-yl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(2-methyloctan-2-yl)benzene
PubChem CID146181426
Molecular FormulaC15H22F2
Molecular Weight240.34 g/mol
Exact Mass240.17
IUPAC Name1,2-difluoro-4-(2-methyloctan-2-yl)benzene
SMILESCCCCCCC(C)(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H22F2/c1-4-5-6-7-10-15(2,3)12-8-9-13(16)14(17)11-12/h8-9,11H,4-7,10H2,1-3H3
InChIKeyQOMZEELUBQIELR-UHFFFAOYSA-N
XLogP5.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.34
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-difluorophenyl)heptan-2-ol
CID 80557714
2,5-bis(2-methylheptan-2-yl)phenol
CID 87703895
1-ethyl-4-(2-methylheptan-2-yl)benzene
CID 54310984
1-fluoro-2-(2-methyloctan-2-yl)benzene
CID 155122993
bis(2-[2-hydroxy-5-(2-methylheptan-2-yl)phenyl]sulfanyl-4-(2-methylheptan-2-yl)phenol);nickel
CID 87330010
5-(2-methyloctan-2-yl)-2-pyridin-4-ylphenol
CID 135505763
2-chloro-4-(2-methylheptan-2-yl)-1-pentoxybenzene
CID 54425334
5-(2-methylheptan-2-yl)benzene-1,3-diol
CID 12713057
4-(2-methylnonan-2-yl)benzamide
CID 154959584
1,2-difluoro-4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]benzene
CID 21269950
2-(2-methylbutan-2-yl)-6-(2-methyloctan-2-yl)quinoxaline
CID 134415208
9-N,9-N,10-N,10-N-tetrakis(2,6-difluorophenyl)-2,6-bis(2-methylhexan-2-yl)anthracene-9,10-diamine
CID 59861538

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(2-methyloctan-2-yl)benzene?
The IUPAC name of 1,2-difluoro-4-(2-methyloctan-2-yl)benzene (CID 146181426) is 1,2-difluoro-4-(2-methyloctan-2-yl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(2-methyloctan-2-yl)benzene?
The canonical SMILES for 1,2-difluoro-4-(2-methyloctan-2-yl)benzene is CCCCCCC(C)(C)c1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-(2-methyloctan-2-yl)benzene?
The InChIKey is QOMZEELUBQIELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2/c1-4-5-6-7-10-15(2,3)12-8-9-13(16)14(17)11-12/h8-9,11H,4-7,10H2,1-3H3.
What are the key properties of 1,2-difluoro-4-(2-methyloctan-2-yl)benzene?
1,2-difluoro-4-(2-methyloctan-2-yl)benzene has a molecular weight of 240.34 g/mol, XLogP of 5.21, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(2-methyloctan-2-yl)benzene is sourced from PubChem (CID 146181426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).