1,2-difluoro-4-(2-methylpentyl)benzene

C12H16F2 — CID 143267689

IUPAC1,2-difluoro-4-(2-methylpentyl)benzene
SMILESCCCC(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2/c1-3-4-9(2)7-10-5-6-11(13)12(14)8-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyOUDKVWSCFARABV-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.94
Rot. Bonds4

About 1,2-difluoro-4-(2-methylpentyl)benzene

1,2-difluoro-4-(2-methylpentyl)benzene (PubChem CID 143267689) has the molecular formula C12H16F2 and a molecular weight of 198.26 g/mol. Its IUPAC name is 1,2-difluoro-4-(2-methylpentyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(2-methylpentyl)benzene
PubChem CID143267689
Molecular FormulaC12H16F2
Molecular Weight198.26 g/mol
Exact Mass198.12
IUPAC Name1,2-difluoro-4-(2-methylpentyl)benzene
SMILESCCCC(C)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2/c1-3-4-9(2)7-10-5-6-11(13)12(14)8-10/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyOUDKVWSCFARABV-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2-methyl-4-(2-methylpentyl)benzene
CID 143267587
2-fluoro-1-methoxy-4-[(2R)-2-methylpentyl]benzene
CID 59468307
4-[2-(chloromethyl)pentyl]-1,2-difluorobenzene
CID 82934974
4-(3,4-difluorophenyl)-3-methylbutanoic acid
CID 82935908
1-(3,4-difluorophenyl)-3-methylheptan-2-amine
CID 114246498
1-(3,4-difluorophenyl)-N-ethylpropan-2-amine
CID 24936146
1,2-difluoro-4-(2-methylpropyl)benzene;1-fluoro-4-(2-methylpropyl)benzene
CID 157379401
4-(4-fluoro-3-methylphenyl)-3-methylbutan-1-amine
CID 83931066
1-(3,4-difluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 114875109
1-(3,4-difluorophenyl)-2-methyl-N-propylpentan-3-amine
CID 82919675
1,2-difluoro-4-propylbenzene;methane
CID 160697343
4-(4-ethoxy-3-fluorophenyl)-3-methylbutan-1-amine
CID 116924857

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(2-methylpentyl)benzene?
The IUPAC name of 1,2-difluoro-4-(2-methylpentyl)benzene (CID 143267689) is 1,2-difluoro-4-(2-methylpentyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(2-methylpentyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(2-methylpentyl)benzene is CCCC(C)Cc1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-(2-methylpentyl)benzene?
The InChIKey is OUDKVWSCFARABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2/c1-3-4-9(2)7-10-5-6-11(13)12(14)8-10/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 1,2-difluoro-4-(2-methylpentyl)benzene?
1,2-difluoro-4-(2-methylpentyl)benzene has a molecular weight of 198.26 g/mol, XLogP of 3.94, 4 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-methylpentyl)benzene is sourced from PubChem (CID 143267689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).