2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile

C15H18F2N2O — CID 81268540

IUPAC2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(COc1c(F)cccc1F)C1CC1
InChIInChI=1S/C15H18F2N2O/c1-10(2)19-15(8-18,11-6-7-11)9-20-14-12(16)4-3-5-13(14)17/h3-5,10-11,19H,6-7,9H2,1-2H3
InChIKeyLFNQSQHKPJEMPX-UHFFFAOYSA-N
MW280.32 g/mol
LogP3.01
Rot. Bonds6

About 2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile

2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile (PubChem CID 81268540) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile
PubChem CID81268540
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile
SMILESCC(C)NC(C#N)(COc1c(F)cccc1F)C1CC1
InChIInChI=1S/C15H18F2N2O/c1-10(2)19-15(8-18,11-6-7-11)9-20-14-12(16)4-3-5-13(14)17/h3-5,10-11,19H,6-7,9H2,1-2H3
InChIKeyLFNQSQHKPJEMPX-UHFFFAOYSA-N
XLogP3.01
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-3-(3-fluorophenoxy)-2-(propan-2-ylamino)propanenitrile
CID 63907147
2-cyclopropyl-3-(4-ethoxyphenoxy)-2-(propan-2-ylamino)propanenitrile
CID 63907770
2-cyclopropyl-3-[3-(methoxymethyl)phenoxy]-2-(propan-2-ylamino)propanenitrile
CID 63985003
2-cyclopropyl-3-(2,2-difluoroethoxy)-2-(propan-2-ylamino)propanenitrile
CID 82006690
2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile
CID 63908192
2-amino-2-cyclopropyl-3-(2,6-difluorophenoxy)propan-1-ol
CID 81269349
2-cyclopropyl-3-(2,3-dimethylphenoxy)-2-(methylamino)propanenitrile
CID 63906504
2-cyclopropyl-3-(2-methoxyphenoxy)-2-(methylamino)propanenitrile
CID 63906095
3-[cyclohexyl(methyl)amino]-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63913512
2-cyclopropyl-2-(cyclopropylamino)-3-(2,4-difluorophenoxy)propanenitrile
CID 63905680
5-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 63036442
3-cyclopentylsulfanyl-2-cyclopropyl-2-(propan-2-ylamino)propanenitrile
CID 63907237

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile (CID 81268540) is 2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile is CC(C)NC(C#N)(COc1c(F)cccc1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile?
The InChIKey is LFNQSQHKPJEMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-10(2)19-15(8-18,11-6-7-11)9-20-14-12(16)4-3-5-13(14)17/h3-5,10-11,19H,6-7,9H2,1-2H3.
What are the key properties of 2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile?
2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile has a molecular weight of 280.32 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(2,6-difluorophenoxy)-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 81268540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).