2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile

C13H15FN2O — CID 106136057

IUPAC2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile
SMILESN#Cc1ccc(NCC2CCC(O)C2)cc1F
InChIInChI=1S/C13H15FN2O/c14-13-6-11(3-2-10(13)7-15)16-8-9-1-4-12(17)5-9/h2-3,6,9,12,16-17H,1,4-5,8H2
InChIKeyRGLFHWKGPHTGKQ-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.27
Rot. Bonds3

About 2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile

2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile (PubChem CID 106136057) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile.

Molecular Properties

Compound Name2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile
PubChem CID106136057
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile
SMILESN#Cc1ccc(NCC2CCC(O)C2)cc1F
InChIInChI=1S/C13H15FN2O/c14-13-6-11(3-2-10(13)7-15)16-8-9-1-4-12(17)5-9/h2-3,6,9,12,16-17H,1,4-5,8H2
InChIKeyRGLFHWKGPHTGKQ-UHFFFAOYSA-N
XLogP2.27
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzoic acid
CID 106137573
4-chloro-2-[(3-hydroxycyclopentyl)methylamino]benzonitrile
CID 103269778
2-fluoro-4-[(1-methylpiperidin-3-yl)methylamino]benzonitrile
CID 113295642
2-[2-amino-5-[(3-hydroxycyclopentyl)methylamino]phenyl]acetonitrile
CID 114146019
4-[(3-hydroxycyclopentyl)methylamino]naphthalene-1-carbonitrile
CID 106128337
4-(cyclopropylmethylamino)-2-(trifluoromethyl)benzonitrile
CID 11481851
5-(cyclohexylmethylamino)-2-fluorobenzonitrile
CID 62317493
2-amino-4-[(3-methylcyclopentyl)methylamino]benzonitrile
CID 107411184
4-[(3-cyano-4-fluoroanilino)methyl]cyclohexane-1-carboxylic acid
CID 172582938
2-fluoro-4-[(4-methylmorpholin-2-yl)methylamino]benzonitrile
CID 115367637
2-fluoro-4-(3-methylbut-2-enylamino)benzonitrile
CID 106188986
2-fluoro-4-(propylamino)benzonitrile
CID 115366947

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile?
The IUPAC name of 2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile (CID 106136057) is 2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile.
What is the SMILES notation for 2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile?
The canonical SMILES for 2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile is N#Cc1ccc(NCC2CCC(O)C2)cc1F.
What is the InChIKey of 2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile?
The InChIKey is RGLFHWKGPHTGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c14-13-6-11(3-2-10(13)7-15)16-8-9-1-4-12(17)5-9/h2-3,6,9,12,16-17H,1,4-5,8H2.
What are the key properties of 2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile?
2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile has a molecular weight of 234.27 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3-hydroxycyclopentyl)methylamino]benzonitrile is sourced from PubChem (CID 106136057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).