5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonitrile

C12H5ClF3NO — CID 959187

IUPAC5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonitrile
SMILESN#Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C12H5ClF3NO/c13-10-3-1-7(12(14,15)16)5-9(10)11-4-2-8(6-17)18-11/h1-5H
InChIKeyNMQAFABDQAKCRS-UHFFFAOYSA-N
MW271.63 g/mol
LogP4.49
Rot. Bonds1

About 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonitrile

5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonitrile (PubChem CID 959187) has the molecular formula C12H5ClF3NO and a molecular weight of 271.63 g/mol. Its IUPAC name is 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonitrile.

Molecular Properties

Compound Name5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonitrile
PubChem CID959187
Molecular FormulaC12H5ClF3NO
Molecular Weight271.63 g/mol
Exact Mass271.00
IUPAC Name5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonitrile
SMILESN#Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1
InChIInChI=1S/C12H5ClF3NO/c13-10-3-1-7(12(14,15)16)5-9(10)11-4-2-8(6-17)18-11/h1-5H
InChIKeyNMQAFABDQAKCRS-UHFFFAOYSA-N
XLogP4.49
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.63
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-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 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonitrile?
The IUPAC name of 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonitrile (CID 959187) is 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonitrile.
What is the SMILES notation for 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonitrile?
The canonical SMILES for 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonitrile is N#Cc1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1.
What is the InChIKey of 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonitrile?
The InChIKey is NMQAFABDQAKCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClF3NO/c13-10-3-1-7(12(14,15)16)5-9(10)11-4-2-8(6-17)18-11/h1-5H.
What are the key properties of 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonitrile?
5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonitrile has a molecular weight of 271.63 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-carbonitrile is sourced from PubChem (CID 959187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).