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

C16H13FN2 — CID 102815035

IUPAC3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
SMILESCC1Cc2ccccc2N1c1cc(F)cc(C#N)c1
InChIInChI=1S/C16H13FN2/c1-11-6-13-4-2-3-5-16(13)19(11)15-8-12(10-18)7-14(17)9-15/h2-5,7-9,11H,6H2,1H3
InChIKeyFFEZSZJXDHTFBC-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.78
Rot. Bonds1

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

3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile (PubChem CID 102815035) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
PubChem CID102815035
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC Name3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
SMILESCC1Cc2ccccc2N1c1cc(F)cc(C#N)c1
InChIInChI=1S/C16H13FN2/c1-11-6-13-4-2-3-5-16(13)19(11)15-8-12(10-18)7-14(17)9-15/h2-5,7-9,11H,6H2,1H3
InChIKeyFFEZSZJXDHTFBC-UHFFFAOYSA-N
XLogP3.78
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 63511241
2-chloro-4-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194409
2-fluoro-6-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55387468
4-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile
CID 55194408
3-(2,4-dimethylpyrrolidin-1-yl)-5-fluorobenzonitrile
CID 102817496
4-fluoro-2-(2-methyl-2,3-dihydroindol-1-yl)aniline
CID 55067818
2-methyl-1-(4-phenylphenyl)-2,3-dihydroindole
CID 20685477
3-(2-methyl-2,3-dihydroindol-1-yl)pyrazine-2-carbonitrile
CID 62685726
N-(4-cyanophenyl)-5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109200837
2-methyl-1-(4-nitrophenyl)-2,3-dihydroindole
CID 102141492
3,5-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)benzenecarbothioamide
CID 81286903
3-(2-methyl-2,3-dihydroindol-1-yl)-5-propan-2-yloxyaniline
CID 80726329

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The IUPAC name of 3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile (CID 102815035) is 3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile.
What is the SMILES notation for 3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The canonical SMILES for 3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile is CC1Cc2ccccc2N1c1cc(F)cc(C#N)c1.
What is the InChIKey of 3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The InChIKey is FFEZSZJXDHTFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c1-11-6-13-4-2-3-5-16(13)19(11)15-8-12(10-18)7-14(17)9-15/h2-5,7-9,11H,6H2,1H3.
What are the key properties of 3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile?
3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile has a molecular weight of 252.29 g/mol, XLogP of 3.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(2-methyl-2,3-dihydroindol-1-yl)benzonitrile is sourced from PubChem (CID 102815035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).