(2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile

C9H8FNO — CID 95566900

IUPAC(2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile
SMILESCO[C@@H](C#N)c1ccc(F)cc1
InChIInChI=1S/C9H8FNO/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9H,1H3/t9-/m0/s1
InChIKeyAXZDZULCUNJNHT-VIFPVBQESA-N
MW165.17 g/mol
LogP2.04
Rot. Bonds2

About (2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile

(2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile (PubChem CID 95566900) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile
PubChem CID95566900
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name(2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile
SMILESCO[C@@H](C#N)c1ccc(F)cc1
InChIInChI=1S/C9H8FNO/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9H,1H3/t9-/m0/s1
InChIKeyAXZDZULCUNJNHT-VIFPVBQESA-N
XLogP2.04
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-2-(4-phenylphenyl)acetonitrile
CID 66070699
2-(3,4-dimethylphenyl)-2-methoxyacetonitrile
CID 66070290
2-(4-fluorophenyl)-3-methylbutanedinitrile
CID 119087043
2-(4-fluorophenyl)-5-methoxy-3-oxopentanenitrile
CID 43156915
1-(4-fluorophenyl)-1-methoxy-N-methylmethanamine
CID 116961436
1-fluoro-4-(1-methoxybut-3-ynyl)benzene
CID 121219866
2-[4-(difluoromethyl)phenyl]-2-ethoxyacetonitrile
CID 115525696
2-(4-fluorophenyl)-2-methoxyacetaldehyde
CID 83827030
(2S)-2-(4-chlorophenyl)-2-(4-fluorophenyl)acetonitrile
CID 129390473
4-(dimethylamino)-2-(4-fluorophenyl)butanenitrile
CID 82077294
2-[2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]propanedinitrile
CID 72722525
2-cyclopropyl-2-(4-fluorophenyl)acetonitrile
CID 55270127

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile?
The IUPAC name of (2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile (CID 95566900) is (2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile is CO[C@@H](C#N)c1ccc(F)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile?
The InChIKey is AXZDZULCUNJNHT-VIFPVBQESA-N. The full InChI is InChI=1S/C9H8FNO/c1-12-9(6-11)7-2-4-8(10)5-3-7/h2-5,9H,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile?
(2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile has a molecular weight of 165.17 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-2-methoxyacetonitrile is sourced from PubChem (CID 95566900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).