4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile

C15H16F2N2 — CID 168994260

IUPAC4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile
SMILESN#Cc1ccc(C2CC3(CCN2)CC(F)(F)C3)cc1
InChIInChI=1S/C15H16F2N2/c16-15(17)9-14(10-15)5-6-19-13(7-14)12-3-1-11(8-18)2-4-12/h1-4,13,19H,5-7,9-10H2
InChIKeyJQPFAGBFILMWAM-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.40
Rot. Bonds1

About 4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile

4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile (PubChem CID 168994260) has the molecular formula C15H16F2N2 and a molecular weight of 262.30 g/mol. Its IUPAC name is 4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile.

Molecular Properties

Compound Name4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile
PubChem CID168994260
Molecular FormulaC15H16F2N2
Molecular Weight262.30 g/mol
Exact Mass262.13
IUPAC Name4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile
SMILESN#Cc1ccc(C2CC3(CCN2)CC(F)(F)C3)cc1
InChIInChI=1S/C15H16F2N2/c16-15(17)9-14(10-15)5-6-19-13(7-14)12-3-1-11(8-18)2-4-12/h1-4,13,19H,5-7,9-10H2
InChIKeyJQPFAGBFILMWAM-UHFFFAOYSA-N
XLogP3.40
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2R)-4,4-dimethylpiperidin-2-yl]benzonitrile
CID 125469118
4,4-difluoro-2-phenylpiperidine;ethane
CID 145285471
(2S)-4-fluoro-2-(4-fluorophenyl)-4-iodopiperidine
CID 175634971
2-(4-fluorophenyl)-4-methylpiperidin-4-ol
CID 117236664
ethane;4-(5-oxopyrrolidin-2-yl)benzonitrile
CID 143222280
(2R)-4,4-difluoro-2-(4-fluorophenyl)pyrrolidine
CID 159819312
4-(7-methyl-1-oxo-1,4-thiazepan-3-yl)benzonitrile
CID 66227383
4-(1,3-thiazinan-2-yl)benzonitrile
CID 66218756
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[(2R,5S)-5-methoxypiperidin-2-yl]benzonitrile
CID 125469186
3-(4,4-difluoropiperidin-2-yl)phenol
CID 84782688
4-(3,9-diazaspiro[5.5]undecan-3-yl)benzonitrile
CID 15940810

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile?
The IUPAC name of 4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile (CID 168994260) is 4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile.
What is the SMILES notation for 4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile?
The canonical SMILES for 4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile is N#Cc1ccc(C2CC3(CCN2)CC(F)(F)C3)cc1.
What is the InChIKey of 4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile?
The InChIKey is JQPFAGBFILMWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2/c16-15(17)9-14(10-15)5-6-19-13(7-14)12-3-1-11(8-18)2-4-12/h1-4,13,19H,5-7,9-10H2.
What are the key properties of 4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile?
4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile has a molecular weight of 262.30 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoro-7-azaspiro[3.5]nonan-6-yl)benzonitrile is sourced from PubChem (CID 168994260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).