1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene

C10H9ClF2 — CID 176717055

IUPAC1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene
SMILESFC1(F)CC1Cc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClF2/c11-9-3-1-7(2-4-9)5-8-6-10(8,12)13/h1-4,8H,5-6H2
InChIKeyJTGVUYLIERCWLH-UHFFFAOYSA-N
MW202.63 g/mol
LogP3.54
Rot. Bonds2

About 1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene

1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene (PubChem CID 176717055) has the molecular formula C10H9ClF2 and a molecular weight of 202.63 g/mol. Its IUPAC name is 1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene
PubChem CID176717055
Molecular FormulaC10H9ClF2
Molecular Weight202.63 g/mol
Exact Mass202.04
IUPAC Name1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene
SMILESFC1(F)CC1Cc1ccc(Cl)cc1
InChIInChI=1S/C10H9ClF2/c11-9-3-1-7(2-4-9)5-8-6-10(8,12)13/h1-4,8H,5-6H2
InChIKeyJTGVUYLIERCWLH-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.63
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene 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-4-[(2,2-difluorocyclopropyl)methyl]benzene?
The IUPAC name of 1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene (CID 176717055) is 1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene.
What is the SMILES notation for 1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene?
The canonical SMILES for 1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene is FC1(F)CC1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene?
The InChIKey is JTGVUYLIERCWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2/c11-9-3-1-7(2-4-9)5-8-6-10(8,12)13/h1-4,8H,5-6H2.
What are the key properties of 1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene?
1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene has a molecular weight of 202.63 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(2,2-difluorocyclopropyl)methyl]benzene is sourced from PubChem (CID 176717055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).