2,2-difluorobutylbenzene

C10H12F2 — CID 12695736

IUPAC2,2-difluorobutylbenzene
SMILESCCC(F)(F)Cc1ccccc1
InChIInChI=1S/C10H12F2/c1-2-10(11,12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyYKAIMEMKSJVQGY-UHFFFAOYSA-N
MW170.20 g/mol
LogP3.27
Rot. Bonds3

About 2,2-difluorobutylbenzene

2,2-difluorobutylbenzene (PubChem CID 12695736) has the molecular formula C10H12F2 and a molecular weight of 170.20 g/mol. Its IUPAC name is 2,2-difluorobutylbenzene.

Molecular Properties

Compound Name2,2-difluorobutylbenzene
PubChem CID12695736
Molecular FormulaC10H12F2
Molecular Weight170.20 g/mol
Exact Mass170.09
IUPAC Name2,2-difluorobutylbenzene
SMILESCCC(F)(F)Cc1ccccc1
InChIInChI=1S/C10H12F2/c1-2-10(11,12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKeyYKAIMEMKSJVQGY-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.20
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;2,2,2-trifluoroethylbenzene
CID 142152613
(2-fluoro-2-methylpropyl)benzene
CID 14343442
(2-ethyl-2-methylbutyl)benzene
CID 123641908
azane;2,2-dimethylbutylbenzene
CID 175285583
azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
azane;3-benzylpentan-3-ol
CID 173295411
(2-ethyl-2-fluoro-5-methyl-4-methylidenehex-5-enyl)benzene
CID 123284186
(4,4-difluoro-2,2-dimethylpentyl)benzene
CID 155030658
2-benzyl-2-ethylpropane-1,3-diol
CID 19862076
2-(2,2-difluoro-3-phenylpropyl)furan
CID 177407030
2,2-difluoro-1,1,3-triphenylpropan-1-ol
CID 54590336
(5,5,5-trifluoro-2,2-dimethylpentyl)benzene
CID 70815571

Frequently Asked Questions

What is the IUPAC name of 2,2-difluorobutylbenzene?
The IUPAC name of 2,2-difluorobutylbenzene (CID 12695736) is 2,2-difluorobutylbenzene.
What is the SMILES notation for 2,2-difluorobutylbenzene?
The canonical SMILES for 2,2-difluorobutylbenzene is CCC(F)(F)Cc1ccccc1.
What is the InChIKey of 2,2-difluorobutylbenzene?
The InChIKey is YKAIMEMKSJVQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2/c1-2-10(11,12)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 2,2-difluorobutylbenzene?
2,2-difluorobutylbenzene has a molecular weight of 170.20 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluorobutylbenzene is sourced from PubChem (CID 12695736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).