2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile

C11H13FN2 — CID 126987057

IUPAC2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile
SMILESCC(C)(NCC#N)c1ccccc1F
InChIInChI=1S/C11H13FN2/c1-11(2,14-8-7-13)9-5-3-4-6-10(9)12/h3-6,14H,8H2,1-2H3
InChIKeyWJWBHBDNGAEORV-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.17
Rot. Bonds3

About 2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile

2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile (PubChem CID 126987057) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile
PubChem CID126987057
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile
SMILESCC(C)(NCC#N)c1ccccc1F
InChIInChI=1S/C11H13FN2/c1-11(2,14-8-7-13)9-5-3-4-6-10(9)12/h3-6,14H,8H2,1-2H3
InChIKeyWJWBHBDNGAEORV-UHFFFAOYSA-N
XLogP2.17
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,3-difluoro-3-(2-fluorophenyl)propanenitrile
CID 83855469
2-[(2-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 28702608
methyl 2-(2-fluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62367199
N-[2-(2-fluorophenyl)propan-2-yl]-2-(methylamino)acetamide
CID 110460359
2-[(2-fluorophenyl)methylamino]acetonitrile
CID 28582566
2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]-3-methylbutanenitrile
CID 115254735
2-[[[2-(2-fluorophenyl)-2-methylpropyl]amino]methyl]butanenitrile
CID 115254196
2-[4-fluoro-3-(trifluoromethyl)anilino]acetonitrile
CID 61229789
(2R)-2-(2-fluorophenyl)-2-trimethylsilyloxypropanenitrile
CID 11172442
N-[2-(2-fluorophenyl)propan-2-yl]-2-methylpropanamide
CID 110441926
(2R)-2-(2-fluorophenyl)-2-methoxypropan-1-amine
CID 96681773
2-(2-fluorophenyl)-1-(methylamino)propan-2-ol
CID 62774362

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile?
The IUPAC name of 2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile (CID 126987057) is 2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile.
What is the SMILES notation for 2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile?
The canonical SMILES for 2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile is CC(C)(NCC#N)c1ccccc1F.
What is the InChIKey of 2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile?
The InChIKey is WJWBHBDNGAEORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-11(2,14-8-7-13)9-5-3-4-6-10(9)12/h3-6,14H,8H2,1-2H3.
What are the key properties of 2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile?
2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile has a molecular weight of 192.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)propan-2-ylamino]acetonitrile is sourced from PubChem (CID 126987057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).