2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide

C7H10F3NO2 — CID 80717029

IUPAC2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
SMILESO=C(NCC1(CO)CC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5(13)11-3-6(4-12)1-2-6/h12H,1-4H2,(H,11,13)
InChIKeyRNMDXJDEXCCMQS-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.44
Rot. Bonds3

About 2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide

2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide (PubChem CID 80717029) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
PubChem CID80717029
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
SMILESO=C(NCC1(CO)CC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)5(13)11-3-6(4-12)1-2-6/h12H,1-4H2,(H,11,13)
InChIKeyRNMDXJDEXCCMQS-UHFFFAOYSA-N
XLogP0.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N1-((1-(hydroxymethyl)cyclopropyl)methyl)-N2-(2,2,2-trifluoroethyl)oxalamide
CID 49756213
N-[4,4,4-trifluoro-2-(hydroxymethyl)butyl]acetamide
CID 155154968
ethane;N-[4,4,4-trifluoro-2-(hydroxymethyl)butyl]acetamide
CID 155701905
2-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 175777541
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 80708954
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 80716353
4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide
CID 80716729
3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80716737
2,2,2-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 81648585
3-(2,2-difluoroethoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 103209152
2,2-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 103513975
2,2-difluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 103513976

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide (CID 80717029) is 2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide is O=C(NCC1(CO)CC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
The InChIKey is RNMDXJDEXCCMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)5(13)11-3-6(4-12)1-2-6/h12H,1-4H2,(H,11,13).
What are the key properties of 2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide?
2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide has a molecular weight of 197.16 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 80717029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).