2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile

C10H16F2N2O — CID 107479666

IUPAC2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CN(CCO)CC(F)F)CC1
InChIInChI=1S/C10H16F2N2O/c11-9(12)7-14(5-6-15)8-10(1-2-10)3-4-13/h9,15H,1-3,5-8H2
InChIKeyIDKXQHZNZSTGCC-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.24
Rot. Bonds7

About 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile

2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile (PubChem CID 107479666) has the molecular formula C10H16F2N2O and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile
PubChem CID107479666
Molecular FormulaC10H16F2N2O
Molecular Weight218.25 g/mol
Exact Mass218.12
IUPAC Name2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile
SMILESN#CCC1(CN(CCO)CC(F)F)CC1
InChIInChI=1S/C10H16F2N2O/c11-9(12)7-14(5-6-15)8-10(1-2-10)3-4-13/h9,15H,1-3,5-8H2
InChIKeyIDKXQHZNZSTGCC-UHFFFAOYSA-N
XLogP1.24
TPSA47.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile (CID 107479666) is 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile is N#CCC1(CN(CCO)CC(F)F)CC1.
What is the InChIKey of 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile?
The InChIKey is IDKXQHZNZSTGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O/c11-9(12)7-14(5-6-15)8-10(1-2-10)3-4-13/h9,15H,1-3,5-8H2.
What are the key properties of 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile?
2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile has a molecular weight of 218.25 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 107479666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).