1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile

C11H7ClF3N — CID 137333018

IUPAC1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H7ClF3N/c12-9-4-7(10(6-16)1-2-10)3-8(5-9)11(13,14)15/h3-5H,1-2H2
InChIKeyAWAGIUWEHIEUBG-UHFFFAOYSA-N
MW245.63 g/mol
LogP3.91
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile

1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile (PubChem CID 137333018) has the molecular formula C11H7ClF3N and a molecular weight of 245.63 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile
PubChem CID137333018
Molecular FormulaC11H7ClF3N
Molecular Weight245.63 g/mol
Exact Mass245.02
IUPAC Name1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile
SMILESN#CC1(c2cc(Cl)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C11H7ClF3N/c12-9-4-7(10(6-16)1-2-10)3-8(5-9)11(13,14)15/h3-5H,1-2H2
InChIKeyAWAGIUWEHIEUBG-UHFFFAOYSA-N
XLogP3.91
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.63
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile 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-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile (CID 137333018) is 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile is N#CC1(c2cc(Cl)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile?
The InChIKey is AWAGIUWEHIEUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF3N/c12-9-4-7(10(6-16)1-2-10)3-8(5-9)11(13,14)15/h3-5H,1-2H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile?
1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile has a molecular weight of 245.63 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)phenyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 137333018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).