1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene

C18H20F2 — CID 70911242

IUPAC1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene
SMILESCCC(Cc1ccc(C)cc1)c1c(F)cc(C)cc1F
InChIInChI=1S/C18H20F2/c1-4-15(11-14-7-5-12(2)6-8-14)18-16(19)9-13(3)10-17(18)20/h5-10,15H,4,11H2,1-3H3
InChIKeyJQEZZXHQLSMJNN-UHFFFAOYSA-N
MW274.35 g/mol
LogP5.32
Rot. Bonds4

About 1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene

1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene (PubChem CID 70911242) has the molecular formula C18H20F2 and a molecular weight of 274.35 g/mol. Its IUPAC name is 1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene.

Molecular Properties

Compound Name1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene
PubChem CID70911242
Molecular FormulaC18H20F2
Molecular Weight274.35 g/mol
Exact Mass274.15
IUPAC Name1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene
SMILESCCC(Cc1ccc(C)cc1)c1c(F)cc(C)cc1F
InChIInChI=1S/C18H20F2/c1-4-15(11-14-7-5-12(2)6-8-14)18-16(19)9-13(3)10-17(18)20/h5-10,15H,4,11H2,1-3H3
InChIKeyJQEZZXHQLSMJNN-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.35
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
CID 91475154
2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43330154
N-ethyl-2-(4-methylphenyl)-1-(2,4,6-trifluorophenyl)ethanamine
CID 43490356
(2R)-1-(4-methylphenyl)butan-2-ol
CID 39235998
(2S)-1-(4-methylphenyl)butan-2-ol
CID 39236000
1,3-difluoro-5-methyl-2-[(4-methylphenyl)methyl]benzene
CID 134273607
1-methyl-4-[(2R)-2-methylbutyl]benzene
CID 59123946
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
2-(2,4-difluorophenyl)-3-(4-methylphenyl)propan-1-amine
CID 83975158
N-ethyl-1-(3-fluoro-5-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 79704346
1-[1-(3,5-dimethylphenyl)butan-2-yl]-3,5-dimethylbenzene
CID 175315928
1-(2-fluoro-4,6-dimethylphenyl)-2-(4-methoxyphenyl)ethanol
CID 106881014

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene?
The IUPAC name of 1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene (CID 70911242) is 1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene.
What is the SMILES notation for 1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene?
The canonical SMILES for 1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene is CCC(Cc1ccc(C)cc1)c1c(F)cc(C)cc1F.
What is the InChIKey of 1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene?
The InChIKey is JQEZZXHQLSMJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2/c1-4-15(11-14-7-5-12(2)6-8-14)18-16(19)9-13(3)10-17(18)20/h5-10,15H,4,11H2,1-3H3.
What are the key properties of 1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene?
1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene has a molecular weight of 274.35 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-methyl-2-[1-(4-methylphenyl)butan-2-yl]benzene is sourced from PubChem (CID 70911242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).