(2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide

C7H10F3NO2 — CID 87995069

IUPAC(2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide
SMILESCCCNC(=O)[C@@]1(C(F)(F)F)CO1
InChIInChI=1S/C7H10F3NO2/c1-2-3-11-5(12)6(4-13-6)7(8,9)10/h2-4H2,1H3,(H,11,12)/t6-/m1/s1
InChIKeyQOJVJVMCZBCYNZ-ZCFIWIBFSA-N
MW197.16 g/mol
LogP0.84
Rot. Bonds3

About (2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide

(2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide (PubChem CID 87995069) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is (2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide
PubChem CID87995069
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name(2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide
SMILESCCCNC(=O)[C@@]1(C(F)(F)F)CO1
InChIInChI=1S/C7H10F3NO2/c1-2-3-11-5(12)6(4-13-6)7(8,9)10/h2-4H2,1H3,(H,11,12)/t6-/m1/s1
InChIKeyQOJVJVMCZBCYNZ-ZCFIWIBFSA-N
XLogP0.84
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-cyclohexylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide
CID 87994237
3-(ethylaminomethyl)-N-propyloxetane-3-carboxamide
CID 177193420
2-oxo-N-propylpropanamide
CID 13291521
N-propyl-2,2-bis(trifluoromethyl)butanamide
CID 71671965
(4Z)-4-butylidene-N-[2-(2-hydroxyethylamino)ethyl]-2-(trifluoromethyl)oxepane-2-carboxamide
CID 16725192
(2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide
CID 87995082
N-methylacetamide;N-propylacetamide
CID 160752156
1-(2,2-dimethylpropyl)-2,2-dimethyl-N-propylcyclopropane-1-carboxamide
CID 142377280
(3aS,7aS)-N-propyl-2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrole-3a-carboxamide
CID 138014885
ethyl 2-(trifluoromethyl)oxetane-2-carboxylate
CID 90345789
2,3-dihydroxy-N,N'-dipropylbutanediamide
CID 13226339
2,2,3,3,4,4,4-heptafluoro-N-propylbutanamide
CID 614782

Frequently Asked Questions

What is the IUPAC name of (2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide?
The IUPAC name of (2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide (CID 87995069) is (2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide.
What is the SMILES notation for (2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide?
The canonical SMILES for (2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide is CCCNC(=O)[C@@]1(C(F)(F)F)CO1.
What is the InChIKey of (2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide?
The InChIKey is QOJVJVMCZBCYNZ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-2-3-11-5(12)6(4-13-6)7(8,9)10/h2-4H2,1H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide?
(2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide has a molecular weight of 197.16 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-propyl-2-(trifluoromethyl)oxirane-2-carboxamide is sourced from PubChem (CID 87995069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).