2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide

C8H13F2NO2 — CID 103514010

IUPAC2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
SMILESO=C(NCC1(CCO)CC1)C(F)F
InChIInChI=1S/C8H13F2NO2/c9-6(10)7(13)11-5-8(1-2-8)3-4-12/h6,12H,1-5H2,(H,11,13)
InChIKeyXCZCAEDCUXXNDY-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.53
Rot. Bonds5

About 2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide

2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide (PubChem CID 103514010) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
PubChem CID103514010
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
SMILESO=C(NCC1(CCO)CC1)C(F)F
InChIInChI=1S/C8H13F2NO2/c9-6(10)7(13)11-5-8(1-2-8)3-4-12/h6,12H,1-5H2,(H,11,13)
InChIKeyXCZCAEDCUXXNDY-UHFFFAOYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide (CID 103514010) is 2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide is O=C(NCC1(CCO)CC1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
The InChIKey is XCZCAEDCUXXNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c9-6(10)7(13)11-5-8(1-2-8)3-4-12/h6,12H,1-5H2,(H,11,13).
What are the key properties of 2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide?
2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide has a molecular weight of 193.19 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 103514010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).