N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C7H10F3NO2 — CID 126987345

IUPACN-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCOC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)4-11-6(12)5-1-2-13-3-5/h5H,1-4H2,(H,11,12)
InChIKeyQUPLLTXRSBJNIL-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.70
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 126987345) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID126987345
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC NameN-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCOC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)4-11-6(12)5-1-2-13-3-5/h5H,1-4H2,(H,11,12)
InChIKeyQUPLLTXRSBJNIL-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
CID 86850738
N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 47081595
N-[2-(aminomethyl)-2-ethylbutyl]oxolane-3-carboxamide
CID 106250823
N-[(4-chlorocyclohexyl)methyl]oxolane-3-carboxamide
CID 106133423
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
N-(2-amino-2-sulfanylideneethyl)oxolane-3-carboxamide
CID 61276568
N-(4-bromobutyl)oxolane-3-carboxamide
CID 106845774
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]oxolane-3-carboxamide
CID 111481528
(3S)-N-[(2S,3S)-2-hydroxy-2,3-dimethylpentyl]oxane-3-carboxamide
CID 129428756
N-(2-amino-2-methylpropyl)oxane-4-carboxamide;hydrochloride
CID 119625667
N-(2-sulfamoylethyl)oxolane-3-carboxamide
CID 61277309

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 126987345) is N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is O=C(NCC(F)(F)F)C1CCOC1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is QUPLLTXRSBJNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)4-11-6(12)5-1-2-13-3-5/h5H,1-4H2,(H,11,12).
What are the key properties of N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 197.16 g/mol, XLogP of 0.70, 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-3-carboxamide is sourced from PubChem (CID 126987345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).