2-[2,2-difluoroethyl(propyl)amino]ethanol

C7H15F2NO — CID 62015422

IUPAC2-[2,2-difluoroethyl(propyl)amino]ethanol
SMILESCCCN(CCO)CC(F)F
InChIInChI=1S/C7H15F2NO/c1-2-3-10(4-5-11)6-7(8)9/h7,11H,2-6H2,1H3
InChIKeyFAVFMICYGDYRQH-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.96
Rot. Bonds6

About 2-[2,2-difluoroethyl(propyl)amino]ethanol

2-[2,2-difluoroethyl(propyl)amino]ethanol (PubChem CID 62015422) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl(propyl)amino]ethanol
PubChem CID62015422
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name2-[2,2-difluoroethyl(propyl)amino]ethanol
SMILESCCCN(CCO)CC(F)F
InChIInChI=1S/C7H15F2NO/c1-2-3-10(4-5-11)6-7(8)9/h7,11H,2-6H2,1H3
InChIKeyFAVFMICYGDYRQH-UHFFFAOYSA-N
XLogP0.96
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl(propyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl(propyl)amino]ethanol (CID 62015422) is 2-[2,2-difluoroethyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl(propyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl(propyl)amino]ethanol is CCCN(CCO)CC(F)F.
What is the InChIKey of 2-[2,2-difluoroethyl(propyl)amino]ethanol?
The InChIKey is FAVFMICYGDYRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-2-3-10(4-5-11)6-7(8)9/h7,11H,2-6H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl(propyl)amino]ethanol?
2-[2,2-difluoroethyl(propyl)amino]ethanol has a molecular weight of 167.20 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl(propyl)amino]ethanol is sourced from PubChem (CID 62015422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).