1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene

C15H13ClF2 — CID 118329291

IUPAC1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene
SMILESCC(C)c1cccc(-c2c(F)cccc2Cl)c1F
InChIInChI=1S/C15H13ClF2/c1-9(2)10-5-3-6-11(15(10)18)14-12(16)7-4-8-13(14)17/h3-9H,1-2H3
InChIKeyFUZDQURTPYFDJO-UHFFFAOYSA-N
MW266.72 g/mol
LogP5.41
Rot. Bonds2

About 1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene

1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene (PubChem CID 118329291) has the molecular formula C15H13ClF2 and a molecular weight of 266.72 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene
PubChem CID118329291
Molecular FormulaC15H13ClF2
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene
SMILESCC(C)c1cccc(-c2c(F)cccc2Cl)c1F
InChIInChI=1S/C15H13ClF2/c1-9(2)10-5-3-6-11(15(10)18)14-12(16)7-4-8-13(14)17/h3-9H,1-2H3
InChIKeyFUZDQURTPYFDJO-UHFFFAOYSA-N
XLogP5.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.72
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene?
The IUPAC name of 1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene (CID 118329291) is 1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene is CC(C)c1cccc(-c2c(F)cccc2Cl)c1F.
What is the InChIKey of 1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene?
The InChIKey is FUZDQURTPYFDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF2/c1-9(2)10-5-3-6-11(15(10)18)14-12(16)7-4-8-13(14)17/h3-9H,1-2H3.
What are the key properties of 1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene?
1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene has a molecular weight of 266.72 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-(2-fluoro-3-propan-2-ylphenyl)benzene is sourced from PubChem (CID 118329291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).