1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile

C16H10F2N2 — CID 107919059

IUPAC1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2Cc1ccc(F)cc1F
InChIInChI=1S/C16H10F2N2/c17-13-5-4-12(15(18)8-13)10-20-7-6-14-11(9-19)2-1-3-16(14)20/h1-8H,10H2
InChIKeySXKWXFLYEXQIBR-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.84
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile

1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile (PubChem CID 107919059) has the molecular formula C16H10F2N2 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile
PubChem CID107919059
Molecular FormulaC16H10F2N2
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile
SMILESN#Cc1cccc2c1ccn2Cc1ccc(F)cc1F
InChIInChI=1S/C16H10F2N2/c17-13-5-4-12(15(18)8-13)10-20-7-6-14-11(9-19)2-1-3-16(14)20/h1-8H,10H2
InChIKeySXKWXFLYEXQIBR-UHFFFAOYSA-N
XLogP3.84
TPSA28.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-[(2,4-difluorophenyl)methyl]indole
CID 116623841
1-[(2-chloro-4-cyanophenyl)methyl]indole-4-carbonitrile
CID 107918981
1-[(3-bromo-4-fluorophenyl)methyl]indole-4-carbonitrile
CID 107919238
1-[(3-fluoro-4-methoxyphenyl)methyl]indole-4-carbonitrile
CID 107919109
1-[(3-cyanophenyl)methyl]indole-4-carbonitrile
CID 107918998
1-(2-aminoethyl)indole-4-carbonitrile
CID 103846349
1-[(2-cyano-3-pyridinyl)methyl]indole-4-carbonitrile
CID 107919175
1-[(4-chloro-2-fluorophenyl)methyl]-4-fluoroindole
CID 114859510
1-(cyanomethyl)indole-4-carbonitrile
CID 107919207
2-amino-1-[(2,4-difluorophenyl)methyl]benzimidazole-4-carbonitrile
CID 104718933
1-[(4-aminophenyl)methyl]indole-4-carbonitrile
CID 107918478
4-chloro-1-[(2,5-difluorophenyl)methyl]indole
CID 116623695

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile (CID 107919059) is 1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile is N#Cc1cccc2c1ccn2Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile?
The InChIKey is SXKWXFLYEXQIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F2N2/c17-13-5-4-12(15(18)8-13)10-20-7-6-14-11(9-19)2-1-3-16(14)20/h1-8H,10H2.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile?
1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile has a molecular weight of 268.27 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]indole-4-carbonitrile is sourced from PubChem (CID 107919059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).