(2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile

C10H10FNO — CID 135071122

IUPAC(2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile
SMILESC[C@](O)(C#N)Cc1cccc(F)c1
InChIInChI=1S/C10H10FNO/c1-10(13,7-12)6-8-3-2-4-9(11)5-8/h2-5,13H,6H2,1H3/t10-/m1/s1
InChIKeyBVUSJUCATSNRKR-SNVBAGLBSA-N
MW179.19 g/mol
LogP1.64
Rot. Bonds2

About (2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile

(2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile (PubChem CID 135071122) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is (2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile.

Molecular Properties

Compound Name(2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile
PubChem CID135071122
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name(2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile
SMILESC[C@](O)(C#N)Cc1cccc(F)c1
InChIInChI=1S/C10H10FNO/c1-10(13,7-12)6-8-3-2-4-9(11)5-8/h2-5,13H,6H2,1H3/t10-/m1/s1
InChIKeyBVUSJUCATSNRKR-SNVBAGLBSA-N
XLogP1.64
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanohydrins', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1-phenyl-2-propanol
CID 7531
4-(2-Hydroxyethyl)benzonitrile
CID 2800815
3-Benzyl-3-pentanol
CID 118704
2-(4-Fluorophenyl)-4-methoxybutanenitrile (47)
CID 56840704
alpha-Ethyl-alpha-methylbenzeneethanol
CID 101135
3-Phenyllactonitrile
CID 291037
1-(4-Fluorophenyl)-2-methyl-2-propanol
CID 520425
4-(2-Hydroxypropan-2-yl)benzonitrile
CID 589557
3-(4-Fluorophenyl)-3-hydroxypropanenitrile
CID 15063214
(2S)-2-Hydroxy-2-phenylpropanenitrile
CID 11040841
3-Hydroxy-3,3-diphenylpropanenitrile
CID 266076
3-Hydroxy-3-phenylbutanenitrile
CID 539233

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile?
The IUPAC name of (2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile (CID 135071122) is (2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile.
What is the SMILES notation for (2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile?
The canonical SMILES for (2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile is C[C@](O)(C#N)Cc1cccc(F)c1.
What is the InChIKey of (2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile?
The InChIKey is BVUSJUCATSNRKR-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H10FNO/c1-10(13,7-12)6-8-3-2-4-9(11)5-8/h2-5,13H,6H2,1H3/t10-/m1/s1.
What are the key properties of (2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile?
(2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile has a molecular weight of 179.19 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3-fluorophenyl)-2-hydroxy-2-methylpropanenitrile is sourced from PubChem (CID 135071122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).