2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile

C12H14F2N2O — CID 64727389

IUPAC2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile
SMILESCC(CC(C)(N)C#N)Oc1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O/c1-8(6-12(2,16)7-15)17-11-4-3-9(13)5-10(11)14/h3-5,8H,6,16H2,1-2H3
InChIKeyABVKLHCUKOBLOS-UHFFFAOYSA-N
MW240.25 g/mol
LogP2.36
Rot. Bonds4

About 2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile

2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile (PubChem CID 64727389) has the molecular formula C12H14F2N2O and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile.

Molecular Properties

Compound Name2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile
PubChem CID64727389
Molecular FormulaC12H14F2N2O
Molecular Weight240.25 g/mol
Exact Mass240.11
IUPAC Name2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile
SMILESCC(CC(C)(N)C#N)Oc1ccc(F)cc1F
InChIInChI=1S/C12H14F2N2O/c1-8(6-12(2,16)7-15)17-11-4-3-9(13)5-10(11)14/h3-5,8H,6,16H2,1-2H3
InChIKeyABVKLHCUKOBLOS-UHFFFAOYSA-N
XLogP2.36
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-4-(2-methyl-5-propan-2-ylphenoxy)pentanenitrile
CID 64725441
2-(2,4-difluorophenoxy)-2-methylpropanenitrile
CID 57467467
4-(5-fluoro-2-methylphenoxy)-2-methyl-2-(methylamino)pentanenitrile
CID 102983463
N-[2-(2,4-difluorophenoxy)propyl]-2-methylpropan-1-amine
CID 62450002
2-(2,4-difluorophenoxy)-N-prop-2-ynylpropan-1-amine
CID 62572544
3-(2,4-difluorophenoxy)butanimidamide
CID 114995388
4-(2,4-difluorophenoxy)pentanehydrazide
CID 63575446
(3S)-3-(2-amino-5-fluorophenoxy)-2,2-dimethylbutanenitrile
CID 129322807
1-(difluoromethoxy)-2,4-difluorobenzene
CID 18344090
2-amino-4-(3-fluoro-4-methoxyphenyl)-2-methylbutanenitrile
CID 82080227
2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile
CID 64728179
methyl 2-(2,4-difluorophenoxy)propanoate
CID 4507460

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile?
The IUPAC name of 2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile (CID 64727389) is 2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile.
What is the SMILES notation for 2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile?
The canonical SMILES for 2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile is CC(CC(C)(N)C#N)Oc1ccc(F)cc1F.
What is the InChIKey of 2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile?
The InChIKey is ABVKLHCUKOBLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2N2O/c1-8(6-12(2,16)7-15)17-11-4-3-9(13)5-10(11)14/h3-5,8H,6,16H2,1-2H3.
What are the key properties of 2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile?
2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile has a molecular weight of 240.25 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,4-difluorophenoxy)-2-methylpentanenitrile is sourced from PubChem (CID 64727389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).