3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile

C20H17FN2 — CID 22629648

IUPAC3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile
SMILESN#Cc1cc(F)cc(-c2ccc3c(c2)C2(C=N3)CCCCC2)c1
InChIInChI=1S/C20H17FN2/c21-17-9-14(12-22)8-16(10-17)15-4-5-19-18(11-15)20(13-23-19)6-2-1-3-7-20/h4-5,8-11,13H,1-3,6-7H2
InChIKeySAXXWEYTRDJHKI-UHFFFAOYSA-N
MW304.37 g/mol
LogP5.28
Rot. Bonds1

About 3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile

3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile (PubChem CID 22629648) has the molecular formula C20H17FN2 and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile.

Molecular Properties

Compound Name3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile
PubChem CID22629648
Molecular FormulaC20H17FN2
Molecular Weight304.37 g/mol
Exact Mass304.14
IUPAC Name3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile
SMILESN#Cc1cc(F)cc(-c2ccc3c(c2)C2(C=N3)CCCCC2)c1
InChIInChI=1S/C20H17FN2/c21-17-9-14(12-22)8-16(10-17)15-4-5-19-18(11-15)20(13-23-19)6-2-1-3-7-20/h4-5,8-11,13H,1-3,6-7H2
InChIKeySAXXWEYTRDJHKI-UHFFFAOYSA-N
XLogP5.28
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile?
The IUPAC name of 3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile (CID 22629648) is 3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile.
What is the SMILES notation for 3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile?
The canonical SMILES for 3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile is N#Cc1cc(F)cc(-c2ccc3c(c2)C2(C=N3)CCCCC2)c1.
What is the InChIKey of 3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile?
The InChIKey is SAXXWEYTRDJHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2/c21-17-9-14(12-22)8-16(10-17)15-4-5-19-18(11-15)20(13-23-19)6-2-1-3-7-20/h4-5,8-11,13H,1-3,6-7H2.
What are the key properties of 3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile?
3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile has a molecular weight of 304.37 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-spiro[cyclohexane-1,3'-indole]-5'-ylbenzonitrile is sourced from PubChem (CID 22629648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).