2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile

C16H19FN2 — CID 103495571

IUPAC2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1N1CCc2ccc(F)cc21
InChIInChI=1S/C16H19FN2/c17-14-7-6-12-8-9-19(16(12)10-14)15-5-3-1-2-4-13(15)11-18/h6-7,10,13,15H,1-5,8-9H2
InChIKeyBKXOBIJUPTWDIB-UHFFFAOYSA-N
MW258.34 g/mol
LogP3.66
Rot. Bonds1

About 2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile

2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile (PubChem CID 103495571) has the molecular formula C16H19FN2 and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile
PubChem CID103495571
Molecular FormulaC16H19FN2
Molecular Weight258.34 g/mol
Exact Mass258.15
IUPAC Name2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile
SMILESN#CC1CCCCCC1N1CCc2ccc(F)cc21
InChIInChI=1S/C16H19FN2/c17-14-7-6-12-8-9-19(16(12)10-14)15-5-3-1-2-4-13(15)11-18/h6-7,10,13,15H,1-5,8-9H2
InChIKeyBKXOBIJUPTWDIB-UHFFFAOYSA-N
XLogP3.66
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile
CID 103495580
2-(3,4-dihydro-2H-quinolin-1-yl)cyclohexane-1-carbonitrile
CID 43291742
4-(6-fluoro-2,3-dihydroindol-1-yl)pyrrolidin-3-ol
CID 103495845
1-(azepan-3-yl)-6-fluoro-2,3-dihydroindole
CID 103503437
6-fluoro-1-pyrrolidin-3-yl-2,3-dihydroindole
CID 103495858
2-(2,3-dihydroindol-1-yl)-4-methylcyclohexane-1-carbonitrile
CID 43291692
6-fluoro-1-(2-methylpiperidin-4-yl)-2,3-dihydroindole
CID 103496394
1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 103504352
2-cyclohexyl-2-(6-fluoro-2,3-dihydroindol-1-yl)ethanamine
CID 103494523
2-[(6-fluoro-2,3-dihydroindol-1-yl)methyl]cyclohexan-1-amine
CID 103497070
5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103495541
(2-aminocycloheptyl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 103810197

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile?
The IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile (CID 103495571) is 2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile?
The canonical SMILES for 2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile is N#CC1CCCCCC1N1CCc2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile?
The InChIKey is BKXOBIJUPTWDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2/c17-14-7-6-12-8-9-19(16(12)10-14)15-5-3-1-2-4-13(15)11-18/h6-7,10,13,15H,1-5,8-9H2.
What are the key properties of 2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile?
2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile has a molecular weight of 258.34 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dihydroindol-1-yl)cycloheptane-1-carbonitrile is sourced from PubChem (CID 103495571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).