2-[2-(2,2-difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile

C9H14F2N2O — CID 176724764

IUPAC2-[2-(2,2-difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile
SMILESN#CC1CC1CC(CO)NCC(F)F
InChIInChI=1S/C9H14F2N2O/c10-9(11)4-13-8(5-14)2-6-1-7(6)3-12/h6-9,13-14H,1-2,4-5H2
InChIKeyAVSNKUSGYNVPHV-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.75
Rot. Bonds6

About 2-[2-(2,2-difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile

2-[2-(2,2-difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile (PubChem CID 176724764) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile
PubChem CID176724764
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name2-[2-(2,2-difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile
SMILESN#CC1CC1CC(CO)NCC(F)F
InChIInChI=1S/C9H14F2N2O/c10-9(11)4-13-8(5-14)2-6-1-7(6)3-12/h6-9,13-14H,1-2,4-5H2
InChIKeyAVSNKUSGYNVPHV-UHFFFAOYSA-N
XLogP0.75
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3,3-Trifluoro-2-[[[1-(hydroxymethyl)cyclohexyl]amino]methyl]propanenitrile
CID 103367240

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile?
The IUPAC name of 2-[2-(2,2-difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile (CID 176724764) is 2-[2-(2,2-difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-[2-(2,2-difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 2-[2-(2,2-difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile is N#CC1CC1CC(CO)NCC(F)F.
What is the InChIKey of 2-[2-(2,2-difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile?
The InChIKey is AVSNKUSGYNVPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c10-9(11)4-13-8(5-14)2-6-1-7(6)3-12/h6-9,13-14H,1-2,4-5H2.
What are the key properties of 2-[2-(2,2-difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile?
2-[2-(2,2-difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile has a molecular weight of 204.22 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethylamino)-3-hydroxypropyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 176724764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).