1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene

C10H10ClF3O — CID 166584162

IUPAC1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cl)c(OC(F)F)c1F
InChIInChI=1S/C10H10ClF3O/c1-5(2)6-3-4-7(11)9(8(6)12)15-10(13)14/h3-5,10H,1-2H3
InChIKeyNROLPKHLPXFFOP-UHFFFAOYSA-N
MW238.64 g/mol
LogP4.20
Rot. Bonds3

About 1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene

1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene (PubChem CID 166584162) has the molecular formula C10H10ClF3O and a molecular weight of 238.64 g/mol. Its IUPAC name is 1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene
PubChem CID166584162
Molecular FormulaC10H10ClF3O
Molecular Weight238.64 g/mol
Exact Mass238.04
IUPAC Name1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene
SMILESCC(C)c1ccc(Cl)c(OC(F)F)c1F
InChIInChI=1S/C10H10ClF3O/c1-5(2)6-3-4-7(11)9(8(6)12)15-10(13)14/h3-5,10H,1-2H3
InChIKeyNROLPKHLPXFFOP-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene?
The IUPAC name of 1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene (CID 166584162) is 1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene.
What is the SMILES notation for 1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene?
The canonical SMILES for 1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene is CC(C)c1ccc(Cl)c(OC(F)F)c1F.
What is the InChIKey of 1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene?
The InChIKey is NROLPKHLPXFFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3O/c1-5(2)6-3-4-7(11)9(8(6)12)15-10(13)14/h3-5,10H,1-2H3.
What are the key properties of 1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene?
1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene has a molecular weight of 238.64 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(difluoromethoxy)-3-fluoro-4-propan-2-ylbenzene is sourced from PubChem (CID 166584162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).