2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene

C9H9F3 — CID 166898375

IUPAC2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene
SMILESCc1cccc(F)c1CC(F)F
InChIInChI=1S/C9H9F3/c1-6-3-2-4-8(10)7(6)5-9(11)12/h2-4,9H,5H2,1H3
InChIKeyGFQKCPQEQHUBGU-UHFFFAOYSA-N
MW174.16 g/mol
LogP2.94
Rot. Bonds2

About 2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene

2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene (PubChem CID 166898375) has the molecular formula C9H9F3 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene
PubChem CID166898375
Molecular FormulaC9H9F3
Molecular Weight174.16 g/mol
Exact Mass174.07
IUPAC Name2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene
SMILESCc1cccc(F)c1CC(F)F
InChIInChI=1S/C9H9F3/c1-6-3-2-4-8(10)7(6)5-9(11)12/h2-4,9H,5H2,1H3
InChIKeyGFQKCPQEQHUBGU-UHFFFAOYSA-N
XLogP2.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,2-dimethylpropyl)-1-fluoro-3-methylbenzene
CID 58149351
2-(3-chloropropyl)-1-fluoro-3-methylbenzene
CID 118802920
1-(2-fluoro-6-methylphenyl)propan-2-one
CID 84765067
3-(2,6-dimethylphenyl)-1,1-difluoropropan-2-ol
CID 112575476
1-ethyl-3-[(2-fluoro-6-methylphenyl)methyl]-2-methylimidazol-3-ium
CID 174270174
3-(2,6-difluorophenyl)-N-ethyl-2-(2-methylphenyl)propan-1-amine
CID 114933691
2-[(2,6-difluorophenyl)methyl]-3-(2-methylphenyl)propan-1-ol
CID 114934852
1-(2-bromo-6-fluorophenyl)-2-(2,6-dimethylphenyl)ethanamine
CID 114886689
[1-(2,6-difluorophenyl)-3-ethylpentan-2-yl]hydrazine
CID 105323976
1,2-difluoro-3-methylbenzene;vanadium
CID 170603843
1-(2,2-difluoroethyl)-3-methyl-2-propan-2-ylbenzene
CID 146481615
2-(3-chloro-2-methylpropyl)-1,3-difluorobenzene
CID 18989689

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene?
The IUPAC name of 2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene (CID 166898375) is 2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene.
What is the SMILES notation for 2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene?
The canonical SMILES for 2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene is Cc1cccc(F)c1CC(F)F.
What is the InChIKey of 2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene?
The InChIKey is GFQKCPQEQHUBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3/c1-6-3-2-4-8(10)7(6)5-9(11)12/h2-4,9H,5H2,1H3.
What are the key properties of 2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene?
2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene has a molecular weight of 174.16 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-1-fluoro-3-methylbenzene is sourced from PubChem (CID 166898375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).