N-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide

C7H10F3NO2 — CID 130723724

IUPACN-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NC(CO)C1CC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6(13)11-5(3-12)4-1-2-4/h4-5,12H,1-3H2,(H,11,13)
InChIKeyLFCMOKZQXKRTTE-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.44
Rot. Bonds3

About N-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide

N-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide (PubChem CID 130723724) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is N-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide
PubChem CID130723724
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC NameN-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide
SMILESO=C(NC(CO)C1CC1)C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)6(13)11-5(3-12)4-1-2-4/h4-5,12H,1-3H2,(H,11,13)
InChIKeyLFCMOKZQXKRTTE-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

N-(2-amino-1-cyclopentylethyl)-2,2,2-trifluoroacetamide
CID 106737372
bis(N-[1-(azetidin-3-yl)propyl]-2,2,2-trifluoroacetamide);dihydrochloride
CID 160696319
[(1R)-1-cyclohexyl-2-hydroxyethyl]carbamic acid
CID 90307661
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
N-(1-cyclobutylethyl)-2,2,2-trifluoroacetamide
CID 115769035
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
N-[(E,2S)-4-(1,3-dioxolan-2-yl)but-3-en-2-yl]-2,2,2-trifluoroacetamide
CID 101004551
tert-butyl N-[(1S)-1-(4,4-difluorocyclohexyl)-2-hydroxyethyl]carbamate
CID 131744619
4-[(1-cyclopropyl-3,3,3-trifluoropropyl)carbamoyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 146152326
2,2,2-trifluoro-N-(1-sulfanylethyl)acetamide
CID 141004071
methyl 2-[4-[2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclohexyl]acetate
CID 142441432
2,2,2-trifluoro-N-[(E,2R)-1-hydroxypent-3-en-2-yl]acetamide
CID 124702545

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide (CID 130723724) is N-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide is O=C(NC(CO)C1CC1)C(F)(F)F.
What is the InChIKey of N-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide?
The InChIKey is LFCMOKZQXKRTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)6(13)11-5(3-12)4-1-2-4/h4-5,12H,1-3H2,(H,11,13).
What are the key properties of N-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide?
N-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide 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 N-(1-cyclopropyl-2-hydroxyethyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130723724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).