2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile

C10H10FNO — CID 47002215

IUPAC2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile
SMILESN#CC(CO)Cc1ccc(F)cc1
InChIInChI=1S/C10H10FNO/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-4,9,13H,5,7H2
InChIKeyKWFISRFRHISQEV-UHFFFAOYSA-N
MW179.19 g/mol
LogP1.50
Rot. Bonds3

About 2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile

2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile (PubChem CID 47002215) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile
PubChem CID47002215
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile
SMILESN#CC(CO)Cc1ccc(F)cc1
InChIInChI=1S/C10H10FNO/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-4,9,13H,5,7H2
InChIKeyKWFISRFRHISQEV-UHFFFAOYSA-N
XLogP1.50
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 520241
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CID 573132
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CID 2733296

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile (CID 47002215) is 2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile is N#CC(CO)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile?
The InChIKey is KWFISRFRHISQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-4,9,13H,5,7H2.
What are the key properties of 2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile?
2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile has a molecular weight of 179.19 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-3-hydroxypropanenitrile is sourced from PubChem (CID 47002215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).