8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile

C17H21FN2 — CID 114818285

IUPAC8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile
SMILESN#CC1(Nc2cccc(F)c2)CCC2(CCCC2)CC1
InChIInChI=1S/C17H21FN2/c18-14-4-3-5-15(12-14)20-17(13-19)10-8-16(9-11-17)6-1-2-7-16/h3-5,12,20H,1-2,6-11H2
InChIKeyKZLIZJPHWBOBPQ-UHFFFAOYSA-N
MW272.37 g/mol
LogP4.63
Rot. Bonds2

About 8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile

8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile (PubChem CID 114818285) has the molecular formula C17H21FN2 and a molecular weight of 272.37 g/mol. Its IUPAC name is 8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile.

Molecular Properties

Compound Name8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile
PubChem CID114818285
Molecular FormulaC17H21FN2
Molecular Weight272.37 g/mol
Exact Mass272.17
IUPAC Name8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile
SMILESN#CC1(Nc2cccc(F)c2)CCC2(CCCC2)CC1
InChIInChI=1S/C17H21FN2/c18-14-4-3-5-15(12-14)20-17(13-19)10-8-16(9-11-17)6-1-2-7-16/h3-5,12,20H,1-2,6-11H2
InChIKeyKZLIZJPHWBOBPQ-UHFFFAOYSA-N
XLogP4.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

4-(3-fluoroanilino)-1,1-dioxothiane-4-carbonitrile
CID 54982863
1-cyclopropyl-3-(3-fluoroanilino)pyrrolidine-3-carbonitrile
CID 55139666
1-(3-fluoroanilino)-3,3,5,5-tetramethylcyclohexane-1-carbonitrile
CID 115999177
4-(3-fluoroanilino)-2-methylpiperidine-4-carbonitrile
CID 68663847
1-(3-chloroanilino)-4,4-dimethylcycloheptane-1-carbonitrile
CID 65088439
4-(3-bromoanilino)-1,1-dioxothiane-4-carbonitrile
CID 54982906
(2S,4R)-4-cyano-4-(3-fluoroanilino)-2-methylpiperidine-1-carboxylic acid
CID 69409369
N-[1-(aminomethyl)cyclopentyl]-3-fluoroaniline
CID 65384455
1-(3-fluoroanilino)-2,4,4-trimethylcyclohexane-1-carbonitrile
CID 81320438
2-(3-fluorophenyl)spiro[3.4]octane-2-carbonitrile
CID 65003209
N-(1-cyanocyclooctyl)-3-fluorobenzamide
CID 60968532
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9250377

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile?
The IUPAC name of 8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile (CID 114818285) is 8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile.
What is the SMILES notation for 8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile?
The canonical SMILES for 8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile is N#CC1(Nc2cccc(F)c2)CCC2(CCCC2)CC1.
What is the InChIKey of 8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile?
The InChIKey is KZLIZJPHWBOBPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2/c18-14-4-3-5-15(12-14)20-17(13-19)10-8-16(9-11-17)6-1-2-7-16/h3-5,12,20H,1-2,6-11H2.
What are the key properties of 8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile?
8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile has a molecular weight of 272.37 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluoroanilino)spiro[4.5]decane-8-carbonitrile is sourced from PubChem (CID 114818285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).