5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile

C15H10F2N2 — CID 103495541

IUPAC5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
SMILESN#Cc1cc(F)ccc1N1CCc2ccc(F)cc21
InChIInChI=1S/C15H10F2N2/c16-12-3-4-14(11(7-12)9-18)19-6-5-10-1-2-13(17)8-15(10)19/h1-4,7-8H,5-6H2
InChIKeyGZZNEGFQEZWTJK-UHFFFAOYSA-N
MW256.26 g/mol
LogP3.53
Rot. Bonds1

About 5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile

5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile (PubChem CID 103495541) has the molecular formula C15H10F2N2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
PubChem CID103495541
Molecular FormulaC15H10F2N2
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
SMILESN#Cc1cc(F)ccc1N1CCc2ccc(F)cc21
InChIInChI=1S/C15H10F2N2/c16-12-3-4-14(11(7-12)9-18)19-6-5-10-1-2-13(17)8-15(10)19/h1-4,7-8H,5-6H2
InChIKeyGZZNEGFQEZWTJK-UHFFFAOYSA-N
XLogP3.53
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103493907
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103494010
2-(6-fluoro-2,3-dihydroindol-1-yl)pyrimidine-4-carbonitrile
CID 107545455
3-amino-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103501357
4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbenzoic acid
CID 103496467
2-ethylsulfanyl-6-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103495528
(1S)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496697
(1R)-1-[3-chloro-4-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]ethanamine
CID 103496695
5-fluoro-2-(1-oxo-1,4-thiazinan-4-yl)benzonitrile
CID 63667343
[4-chloro-2-(6-fluoro-2,3-dihydroindol-1-yl)phenyl]methanol
CID 103498387
5-fluoro-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)benzonitrile
CID 63668880
3,5-difluoro-4-(6-fluoro-2,3-dihydroindol-1-yl)benzoic acid
CID 103496505

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile?
The IUPAC name of 5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile (CID 103495541) is 5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile?
The canonical SMILES for 5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile is N#Cc1cc(F)ccc1N1CCc2ccc(F)cc21.
What is the InChIKey of 5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile?
The InChIKey is GZZNEGFQEZWTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2N2/c16-12-3-4-14(11(7-12)9-18)19-6-5-10-1-2-13(17)8-15(10)19/h1-4,7-8H,5-6H2.
What are the key properties of 5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile?
5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile has a molecular weight of 256.26 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile is sourced from PubChem (CID 103495541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).