2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile

C16H14F2N2O — CID 116692970

IUPAC2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile
SMILESN#CC(N)(CCOc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C16H14F2N2O/c17-13-6-7-14(18)15(10-13)21-9-8-16(20,11-19)12-4-2-1-3-5-12/h1-7,10H,8-9,20H2
InChIKeyHYCSBSKMAITGBR-UHFFFAOYSA-N
MW288.30 g/mol
LogP3.11
Rot. Bonds5

About 2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile

2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile (PubChem CID 116692970) has the molecular formula C16H14F2N2O and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile
PubChem CID116692970
Molecular FormulaC16H14F2N2O
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile
SMILESN#CC(N)(CCOc1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C16H14F2N2O/c17-13-6-7-14(18)15(10-13)21-9-8-16(20,11-19)12-4-2-1-3-5-12/h1-7,10H,8-9,20H2
InChIKeyHYCSBSKMAITGBR-UHFFFAOYSA-N
XLogP3.11
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-difluorophenoxy)propanenitrile
CID 63269641
1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol
CID 64821682
2-amino-4-(2-cyclopropylethoxy)-2-phenylbutanenitrile
CID 114157788
5-(2,5-difluorophenoxy)-2-ethyl-2-(propan-2-ylamino)pentanenitrile
CID 106804787
4-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-2,2-dimethylbutanenitrile
CID 65247062
N-benzyl-2-(2,5-difluorophenoxy)ethanamine
CID 63273196
2-amino-6-(2,5-difluorophenoxy)-2-methylhexanamide
CID 63269718
4-(2-bromo-4-fluorophenoxy)-2,2-dimethylbutanenitrile
CID 65253440
2-(3-cyano-3-methylbutoxy)-5-fluorobenzenesulfonamide
CID 82915040
2-amino-2-ethyl-5-(2-fluoro-5-methylphenoxy)pentanenitrile
CID 106804842
4-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-2,2-dimethylbutanenitrile
CID 79005064
2-amino-4-[(4-chlorophenyl)methylsulfanyl]-2-phenylbutanenitrile
CID 114791605

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile?
The IUPAC name of 2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile (CID 116692970) is 2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile.
What is the SMILES notation for 2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile?
The canonical SMILES for 2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile is N#CC(N)(CCOc1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of 2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile?
The InChIKey is HYCSBSKMAITGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O/c17-13-6-7-14(18)15(10-13)21-9-8-16(20,11-19)12-4-2-1-3-5-12/h1-7,10H,8-9,20H2.
What are the key properties of 2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile?
2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile has a molecular weight of 288.30 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,5-difluorophenoxy)-2-phenylbutanenitrile is sourced from PubChem (CID 116692970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).