5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile

C11H11FN2O — CID 126791638

IUPAC5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile
SMILESN#Cc1cc(F)ccc1N[C@@H]1C[C@H]1CO
InChIInChI=1S/C11H11FN2O/c12-9-1-2-10(7(3-9)5-13)14-11-4-8(11)6-15/h1-3,8,11,14-15H,4,6H2/t8-,11+/m0/s1
InChIKeyGXCKYCXLNOUWTL-GZMMTYOYSA-N
MW206.22 g/mol
LogP1.49
Rot. Bonds3

About 5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile

5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile (PubChem CID 126791638) has the molecular formula C11H11FN2O and a molecular weight of 206.22 g/mol. Its IUPAC name is 5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile
PubChem CID126791638
Molecular FormulaC11H11FN2O
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile
SMILESN#Cc1cc(F)ccc1N[C@@H]1C[C@H]1CO
InChIInChI=1S/C11H11FN2O/c12-9-1-2-10(7(3-9)5-13)14-11-4-8(11)6-15/h1-3,8,11,14-15H,4,6H2/t8-,11+/m0/s1
InChIKeyGXCKYCXLNOUWTL-GZMMTYOYSA-N
XLogP1.49
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dimethylcyclohexyl)amino]-5-fluorobenzonitrile
CID 63996705
1-(2-cyano-4-fluorophenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111926835
5-fluoro-2-[[2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
CID 82015367
5-fluoro-2-[(2-methyloxolan-3-yl)amino]benzonitrile
CID 82717620
2-(8-azabicyclo[3.2.1]octan-3-ylamino)-5-fluorobenzonitrile
CID 63672782
5-fluoro-2-[(2-methylsulfanylcyclohexyl)amino]benzonitrile
CID 103703350
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
2-[(1,5-dimethylpyrrolidin-3-yl)amino]-5-fluorobenzonitrile
CID 82014852
5-fluoro-2-[(3-methoxycyclopentyl)amino]benzonitrile
CID 103082053
N-(2-cyano-4-fluorophenyl)-3,3-dimethylbutanamide
CID 79953681
5-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methylamino]benzonitrile
CID 79479526
N-(2-cyano-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 82016419

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile?
The IUPAC name of 5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile (CID 126791638) is 5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile.
What is the SMILES notation for 5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile?
The canonical SMILES for 5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile is N#Cc1cc(F)ccc1N[C@@H]1C[C@H]1CO.
What is the InChIKey of 5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile?
The InChIKey is GXCKYCXLNOUWTL-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H11FN2O/c12-9-1-2-10(7(3-9)5-13)14-11-4-8(11)6-15/h1-3,8,11,14-15H,4,6H2/t8-,11+/m0/s1.
What are the key properties of 5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile?
5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile has a molecular weight of 206.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[(1R,2R)-2-(hydroxymethyl)cyclopropyl]amino]benzonitrile is sourced from PubChem (CID 126791638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).