2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene

C9H9ClF2 — CID 84662941

IUPAC2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene
SMILESCC(C)(F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H9ClF2/c1-9(2,12)6-3-4-8(11)7(10)5-6/h3-5H,1-2H3
InChIKeyZIPPEVLTWBRAIH-UHFFFAOYSA-N
MW190.62 g/mol
LogP3.68
Rot. Bonds1

About 2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene

2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene (PubChem CID 84662941) has the molecular formula C9H9ClF2 and a molecular weight of 190.62 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene
PubChem CID84662941
Molecular FormulaC9H9ClF2
Molecular Weight190.62 g/mol
Exact Mass190.04
IUPAC Name2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene
SMILESCC(C)(F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H9ClF2/c1-9(2,12)6-3-4-8(11)7(10)5-6/h3-5H,1-2H3
InChIKeyZIPPEVLTWBRAIH-UHFFFAOYSA-N
XLogP3.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.62
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dichloro-4-(2-fluoropropan-2-yl)benzene
CID 84674781
1-chloro-4-(2-fluoropropan-2-yl)-2-methylbenzene
CID 166786212
2-(3-chloro-4-fluorophenyl)-2,2-difluoroacetic acid
CID 39058327
2-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117363935
4-amino-3-(3-chloro-4-fluorophenyl)-3,4-dimethylpentan-1-ol
CID 66091208
2-(3-chloro-4-fluorophenyl)-2-(propan-2-ylamino)propanoic acid
CID 43754391
3-(3-chloro-4-fluorophenyl)-3-(dimethylamino)butanoic acid
CID 64528554
3-[2-chloro-4-(2-fluoropropan-2-yl)phenyl]propanal
CID 117329588
2-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-2-methylpropan-1-ol
CID 117328986
2-anilino-2-(3-chloro-4-fluorophenyl)propanoic acid
CID 60991913
4-amino-3-(3-chloro-4-fluorophenyl)-3,4-dimethylpentanoic acid
CID 66089545
1-(3-chloro-4-fluorophenyl)-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 63086652

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene?
The IUPAC name of 2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene (CID 84662941) is 2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene?
The canonical SMILES for 2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene is CC(C)(F)c1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene?
The InChIKey is ZIPPEVLTWBRAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2/c1-9(2,12)6-3-4-8(11)7(10)5-6/h3-5H,1-2H3.
What are the key properties of 2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene?
2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene has a molecular weight of 190.62 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-(2-fluoropropan-2-yl)benzene is sourced from PubChem (CID 84662941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).