2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene

C9H9F3 — CID 143135341

IUPAC2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene
SMILESCc1ccc(F)cc1C(C)(F)F
InChIInChI=1S/C9H9F3/c1-6-3-4-7(10)5-8(6)9(2,11)12/h3-5H,1-2H3
InChIKeyICIMANURMHEUGC-UHFFFAOYSA-N
MW174.16 g/mol
LogP3.25
Rot. Bonds1

About 2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene

2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene (PubChem CID 143135341) has the molecular formula C9H9F3 and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene
PubChem CID143135341
Molecular FormulaC9H9F3
Molecular Weight174.16 g/mol
Exact Mass174.07
IUPAC Name2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene
SMILESCc1ccc(F)cc1C(C)(F)F
InChIInChI=1S/C9H9F3/c1-6-3-4-7(10)5-8(6)9(2,11)12/h3-5H,1-2H3
InChIKeyICIMANURMHEUGC-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene
CID 116841558
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-2,4-dimethylpentan-2-ol
CID 91089694
3-amino-1,1,1-trifluoro-2-(5-fluoro-2-methylphenyl)propan-2-ol
CID 63082919
N-tert-butyl-3-(5-fluoro-2-methylphenyl)-3-methylbutan-1-amine
CID 81022530
2-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)propan-2-amine
CID 114833839
ethane;2-fluoro-1-methyl-4-(trifluoromethyl)benzene;4-fluoro-1-methyl-2-(trifluoromethyl)benzene
CID 145466180
2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene
CID 90465421
2-(4-fluoro-2-methylphenyl)propan-2-amine
CID 62790601
1-(5-fluoro-2-methylphenyl)-1-(3-methylthiophen-2-yl)ethanol
CID 63991310
2,2-difluoro-1-(5-fluoro-2-methylphenyl)propan-1-one
CID 131035867
2-fluoro-2-(4-fluoro-2-methylphenyl)propan-1-amine
CID 112565193
2,4-difluoro-1-methylbenzene;hydrobromide
CID 174767043

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene?
The IUPAC name of 2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene (CID 143135341) is 2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene.
What is the SMILES notation for 2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene?
The canonical SMILES for 2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene is Cc1ccc(F)cc1C(C)(F)F.
What is the InChIKey of 2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene?
The InChIKey is ICIMANURMHEUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3/c1-6-3-4-7(10)5-8(6)9(2,11)12/h3-5H,1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene?
2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene has a molecular weight of 174.16 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-4-fluoro-1-methylbenzene is sourced from PubChem (CID 143135341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).