N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide

C7H10F3NO2 — CID 130652642

IUPACN-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCO1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)4-11-6(12)5-2-1-3-13-5/h5H,1-4H2,(H,11,12)
InChIKeyGMXJSCPCCOFLTF-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.84
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide

N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide (PubChem CID 130652642) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
PubChem CID130652642
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC NameN-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCCO1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)4-11-6(12)5-2-1-3-13-5/h5H,1-4H2,(H,11,12)
InChIKeyGMXJSCPCCOFLTF-UHFFFAOYSA-N
XLogP0.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 130748456
(2S)-N-[2,2-dimethyl-3-[[(2R)-oxolane-2-carbonyl]amino]propyl]oxolane-2-carboxamide
CID 2168654
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492
N-(2-hydroxy-2-methylpropyl)oxolane-2-carboxamide
CID 65109937
N-(2-amino-2-ethylbutyl)oxolane-2-carboxamide;hydrochloride
CID 119261227
N-(2,2,2-trifluoroethoxy)oxolane-2-carboxamide
CID 81341090
2-methyl-2-[[[(2R)-oxolane-2-carbonyl]amino]methyl]butanoic acid
CID 104855932
N-(3-chloro-2,2-dimethylpropyl)oxane-2-carboxamide
CID 115364704
N-(2,3-dihydroxy-2-methylpropyl)oxane-2-carboxamide
CID 66169153
(2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 95296980
(2R)-N-(methoxymethyl)oxolane-2-carboxamide
CID 68732384
(2R)-N-(3,3-difluoro-2-hydroxypropyl)oxolane-2-carboxamide
CID 103850586

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide (CID 130652642) is N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide is O=C(NCC(F)(F)F)C1CCCO1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide?
The InChIKey is GMXJSCPCCOFLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)4-11-6(12)5-2-1-3-13-5/h5H,1-4H2,(H,11,12).
What are the key properties of N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide?
N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide has a molecular weight of 197.16 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide is sourced from PubChem (CID 130652642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).