(2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile

C9H9FN2O — CID 130723637

IUPAC(2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile
SMILESCOc1cc([C@@H](N)C#N)ccc1F
InChIInChI=1S/C9H9FN2O/c1-13-9-4-6(8(12)5-11)2-3-7(9)10/h2-4,8H,12H2,1H3/t8-/m0/s1
InChIKeyZMHVLYKPNWQQBO-QMMMGPOBSA-N
MW180.18 g/mol
LogP1.36
Rot. Bonds2

About (2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile

(2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile (PubChem CID 130723637) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile
PubChem CID130723637
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name(2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile
SMILESCOc1cc([C@@H](N)C#N)ccc1F
InChIInChI=1S/C9H9FN2O/c1-13-9-4-6(8(12)5-11)2-3-7(9)10/h2-4,8H,12H2,1H3/t8-/m0/s1
InChIKeyZMHVLYKPNWQQBO-QMMMGPOBSA-N
XLogP1.36
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-(4-fluoro-3-methoxyphenyl)propanenitrile
CID 55297807
(2R)-2-amino-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 28701279
(2R)-2-amino-2-(2,6-difluoro-3-methoxyphenyl)acetonitrile
CID 130625977
(1R)-1-(4-fluoro-3-methoxyphenyl)propane-1,3-diamine
CID 171205851
2-amino-2-(3-bromo-4-fluorophenyl)acetonitrile
CID 16787208
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanamine
CID 81283664
(1R)-1-(4-fluoro-3-methoxyphenyl)prop-2-en-1-amine;hydrochloride
CID 171205858
3-[1-(4-fluoro-3-methoxyphenyl)ethylamino]-2-methylpropanenitrile
CID 83076076
1-(4-fluoro-3-methoxyphenyl)-2-methylpentan-1-amine
CID 107894085
1-(4-fluoro-3-methoxyphenyl)decan-1-amine
CID 115831321
4-(diethoxymethyl)-1-fluoro-2-methoxybenzene
CID 146004738
(1R)-1-(4-fluoro-3-methoxyphenyl)pentane-1,5-diamine
CID 171205855

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile?
The IUPAC name of (2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile (CID 130723637) is (2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile.
What is the SMILES notation for (2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile?
The canonical SMILES for (2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile is COc1cc([C@@H](N)C#N)ccc1F.
What is the InChIKey of (2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile?
The InChIKey is ZMHVLYKPNWQQBO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9FN2O/c1-13-9-4-6(8(12)5-11)2-3-7(9)10/h2-4,8H,12H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile?
(2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile has a molecular weight of 180.18 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-fluoro-3-methoxyphenyl)acetonitrile is sourced from PubChem (CID 130723637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).