1-(3,3-difluorobutyl)-3-methylbenzene

C11H14F2 — CID 169204430

IUPAC1-(3,3-difluorobutyl)-3-methylbenzene
SMILESCc1cccc(CCC(C)(F)F)c1
InChIInChI=1S/C11H14F2/c1-9-4-3-5-10(8-9)6-7-11(2,12)13/h3-5,8H,6-7H2,1-2H3
InChIKeyIVUNZMWTRFXMHH-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.58
Rot. Bonds3

About 1-(3,3-difluorobutyl)-3-methylbenzene

1-(3,3-difluorobutyl)-3-methylbenzene (PubChem CID 169204430) has the molecular formula C11H14F2 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(3,3-difluorobutyl)-3-methylbenzene.

Molecular Properties

Compound Name1-(3,3-difluorobutyl)-3-methylbenzene
PubChem CID169204430
Molecular FormulaC11H14F2
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-(3,3-difluorobutyl)-3-methylbenzene
SMILESCc1cccc(CCC(C)(F)F)c1
InChIInChI=1S/C11H14F2/c1-9-4-3-5-10(8-9)6-7-11(2,12)13/h3-5,8H,6-7H2,1-2H3
InChIKeyIVUNZMWTRFXMHH-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,2-difluoro-4-(3-methylphenyl)butan-1-amine
CID 118527282
1-[[3-(3,3-dimethylbutyl)phenyl]methyl]-3-[(3-methylphenyl)methyl]benzene
CID 140940309
2,2-dimethyl-4-(3-methylphenyl)butanoic acid
CID 69050886
3,3,3-trifluoro-N-[2-(3-methylphenyl)ethyl]propan-1-amine
CID 64554820
1-methyl-3-(2,2,3,3-tetrafluorobutyl)benzene
CID 159642722
1-methyl-3-[8-(3-methylphenyl)octyl]benzene
CID 22920080
2-methoxy-2-methyl-4-(3-methylphenyl)butanal
CID 105459149
N-[2-(3-methylphenyl)ethyl]-4-(trifluoromethyl)aniline
CID 63539979
2-methyl-8-(3-methylphenyl)octan-2-ol
CID 143822225
2-(3-methylphenyl)ethanolate
CID 142208639
1-[2-methyl-4-(3-methylphenyl)butan-2-yl]piperazine
CID 82295520
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorobutyl)-3-methylbenzene?
The IUPAC name of 1-(3,3-difluorobutyl)-3-methylbenzene (CID 169204430) is 1-(3,3-difluorobutyl)-3-methylbenzene.
What is the SMILES notation for 1-(3,3-difluorobutyl)-3-methylbenzene?
The canonical SMILES for 1-(3,3-difluorobutyl)-3-methylbenzene is Cc1cccc(CCC(C)(F)F)c1.
What is the InChIKey of 1-(3,3-difluorobutyl)-3-methylbenzene?
The InChIKey is IVUNZMWTRFXMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2/c1-9-4-3-5-10(8-9)6-7-11(2,12)13/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 1-(3,3-difluorobutyl)-3-methylbenzene?
1-(3,3-difluorobutyl)-3-methylbenzene has a molecular weight of 184.23 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorobutyl)-3-methylbenzene is sourced from PubChem (CID 169204430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).