1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-carbonitrile

C14H11F3N2O — CID 141298747

IUPAC1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-carbonitrile
SMILESN#Cc1cn(CC2CC2)c2cc(OC(F)F)cc(F)c12
InChIInChI=1S/C14H11F3N2O/c15-11-3-10(20-14(16)17)4-12-13(11)9(5-18)7-19(12)6-8-1-2-8/h3-4,7-8,14H,1-2,6H2
InChIKeyXPBZUNSTHKUMQR-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.66
Rot. Bonds4

About 1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-carbonitrile

1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-carbonitrile (PubChem CID 141298747) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-carbonitrile.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-carbonitrile
PubChem CID141298747
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-carbonitrile
SMILESN#Cc1cn(CC2CC2)c2cc(OC(F)F)cc(F)c12
InChIInChI=1S/C14H11F3N2O/c15-11-3-10(20-14(16)17)4-12-13(11)9(5-18)7-19(12)6-8-1-2-8/h3-4,7-8,14H,1-2,6H2
InChIKeyXPBZUNSTHKUMQR-UHFFFAOYSA-N
XLogP3.66
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-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-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-carbonitrile?
The IUPAC name of 1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-carbonitrile (CID 141298747) is 1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-carbonitrile.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-carbonitrile?
The canonical SMILES for 1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-carbonitrile is N#Cc1cn(CC2CC2)c2cc(OC(F)F)cc(F)c12.
What is the InChIKey of 1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-carbonitrile?
The InChIKey is XPBZUNSTHKUMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c15-11-3-10(20-14(16)17)4-12-13(11)9(5-18)7-19(12)6-8-1-2-8/h3-4,7-8,14H,1-2,6H2.
What are the key properties of 1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-carbonitrile?
1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-carbonitrile has a molecular weight of 280.25 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-(difluoromethoxy)-4-fluoroindole-3-carbonitrile is sourced from PubChem (CID 141298747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).