1,1-difluoroethylbenzene

C8H8F2 — CID 10942535

IUPAC1,1-difluoroethylbenzene
SMILESCC(F)(F)c1ccccc1
InChIInChI=1S/C8H8F2/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyDWCFBWPLRGQFLN-UHFFFAOYSA-N
MW142.15 g/mol
LogP2.80
Rot. Bonds1

About 1,1-difluoroethylbenzene

1,1-difluoroethylbenzene (PubChem CID 10942535) has the molecular formula C8H8F2 and a molecular weight of 142.15 g/mol. Its IUPAC name is 1,1-difluoroethylbenzene.

Molecular Properties

Compound Name1,1-difluoroethylbenzene
PubChem CID10942535
Molecular FormulaC8H8F2
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name1,1-difluoroethylbenzene
SMILESCC(F)(F)c1ccccc1
InChIInChI=1S/C8H8F2/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyDWCFBWPLRGQFLN-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

CID 171375456
CID 171375456
tert-butylbenzene;2,2-dimethylpropane;methane
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tert-butylbenzene;molecular nitrogen
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1-tert-butyl-4-[1-(4-tert-butylphenyl)-2,2,2-trifluoro-1-phenylethyl]benzene
CID 20557378
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CID 142912000
tert-butylbenzene;methanimine
CID 174908280
(1,1-difluoro-2-methyl-1-phenylpropan-2-yl)benzene
CID 167184164
[1-fluoro-1-(1-fluoro-1-phenylethyl)sulfanylethyl]benzene
CID 66729803
2-phenylpropan-2-ylbenzene
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tert-butylbenzene;N,N-dimethylmethanamine;ethane
CID 158234617

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethylbenzene?
The IUPAC name of 1,1-difluoroethylbenzene (CID 10942535) is 1,1-difluoroethylbenzene.
What is the SMILES notation for 1,1-difluoroethylbenzene?
The canonical SMILES for 1,1-difluoroethylbenzene is CC(F)(F)c1ccccc1.
What is the InChIKey of 1,1-difluoroethylbenzene?
The InChIKey is DWCFBWPLRGQFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2/c1-8(9,10)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 1,1-difluoroethylbenzene?
1,1-difluoroethylbenzene has a molecular weight of 142.15 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethylbenzene is sourced from PubChem (CID 10942535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).