4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile

C17H21FN2 — CID 103495580

IUPAC4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCc3ccc(F)cc32)C1
InChIInChI=1S/C17H21FN2/c1-2-12-3-4-14(11-19)16(9-12)20-8-7-13-5-6-15(18)10-17(13)20/h5-6,10,12,14,16H,2-4,7-9H2,1H3
InChIKeyBVZZVUXHUZPSQL-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.91
Rot. Bonds2

About 4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile

4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile (PubChem CID 103495580) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile
PubChem CID103495580
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(N2CCc3ccc(F)cc32)C1
InChIInChI=1S/C17H21FN2/c1-2-12-3-4-14(11-19)16(9-12)20-8-7-13-5-6-15(18)10-17(13)20/h5-6,10,12,14,16H,2-4,7-9H2,1H3
InChIKeyBVZZVUXHUZPSQL-UHFFFAOYSA-N
XLogP3.91
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile (CID 103495580) is 4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile is CCC1CCC(C#N)C(N2CCc3ccc(F)cc32)C1.
What is the InChIKey of 4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile?
The InChIKey is BVZZVUXHUZPSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c1-2-12-3-4-14(11-19)16(9-12)20-8-7-13-5-6-15(18)10-17(13)20/h5-6,10,12,14,16H,2-4,7-9H2,1H3.
What are the key properties of 4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile?
4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile has a molecular weight of 272.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(6-fluoro-2,3-dihydroindol-1-yl)cyclohexane-1-carbonitrile is sourced from PubChem (CID 103495580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).