(2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-2-carboxamide

C7H10F3NO2 — CID 87995068

IUPAC(2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-2-carboxamide
SMILESCC(C)NC(=O)[C@@]1(C(F)(F)F)CO1
InChIInChI=1S/C7H10F3NO2/c1-4(2)11-5(12)6(3-13-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,12)/t6-/m1/s1
InChIKeyALRSWGOACDYWOM-ZCFIWIBFSA-N
MW197.16 g/mol
LogP0.84
Rot. Bonds2

About (2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-2-carboxamide

(2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-2-carboxamide (PubChem CID 87995068) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is (2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-2-carboxamide
PubChem CID87995068
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name(2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-2-carboxamide
SMILESCC(C)NC(=O)[C@@]1(C(F)(F)F)CO1
InChIInChI=1S/C7H10F3NO2/c1-4(2)11-5(12)6(3-13-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,12)/t6-/m1/s1
InChIKeyALRSWGOACDYWOM-ZCFIWIBFSA-N
XLogP0.84
TPSA41.63 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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-2-carboxamide?
The IUPAC name of (2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-2-carboxamide (CID 87995068) is (2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-2-carboxamide.
What is the SMILES notation for (2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-2-carboxamide?
The canonical SMILES for (2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-2-carboxamide is CC(C)NC(=O)[C@@]1(C(F)(F)F)CO1.
What is the InChIKey of (2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-2-carboxamide?
The InChIKey is ALRSWGOACDYWOM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-4(2)11-5(12)6(3-13-6)7(8,9)10/h4H,3H2,1-2H3,(H,11,12)/t6-/m1/s1.
What are the key properties of (2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-2-carboxamide?
(2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-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 (2R)-N-propan-2-yl-2-(trifluoromethyl)oxirane-2-carboxamide is sourced from PubChem (CID 87995068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).