N-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide

C7H11F2NO2 — CID 103513920

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide
SMILESO=C(NCC(O)C1CC1)C(F)F
InChIInChI=1S/C7H11F2NO2/c8-6(9)7(12)10-3-5(11)4-1-2-4/h4-6,11H,1-3H2,(H,10,12)
InChIKeyAPCFTLOBQYIAOH-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.14
Rot. Bonds4

About N-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide

N-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide (PubChem CID 103513920) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide
PubChem CID103513920
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide
SMILESO=C(NCC(O)C1CC1)C(F)F
InChIInChI=1S/C7H11F2NO2/c8-6(9)7(12)10-3-5(11)4-1-2-4/h4-6,11H,1-3H2,(H,10,12)
InChIKeyAPCFTLOBQYIAOH-UHFFFAOYSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide (CID 103513920) is N-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide is O=C(NCC(O)C1CC1)C(F)F.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide?
The InChIKey is APCFTLOBQYIAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-6(9)7(12)10-3-5(11)4-1-2-4/h4-6,11H,1-3H2,(H,10,12).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide has a molecular weight of 179.17 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2,2-difluoroacetamide is sourced from PubChem (CID 103513920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).