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

C10H7F4NO2 — CID 87995082

IUPAC(2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide
SMILESO=C(Nc1ccccc1F)[C@@]1(C(F)(F)F)CO1
InChIInChI=1S/C10H7F4NO2/c11-6-3-1-2-4-7(6)15-8(16)9(5-17-9)10(12,13)14/h1-4H,5H2,(H,15,16)/t9-/m1/s1
InChIKeyICNZFBCSCUBOCF-SECBINFHSA-N
MW249.16 g/mol
LogP2.10
Rot. Bonds2

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

(2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide (PubChem CID 87995082) has the molecular formula C10H7F4NO2 and a molecular weight of 249.16 g/mol. Its IUPAC name is (2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide
PubChem CID87995082
Molecular FormulaC10H7F4NO2
Molecular Weight249.16 g/mol
Exact Mass249.04
IUPAC Name(2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide
SMILESO=C(Nc1ccccc1F)[C@@]1(C(F)(F)F)CO1
InChIInChI=1S/C10H7F4NO2/c11-6-3-1-2-4-7(6)15-8(16)9(5-17-9)10(12,13)14/h1-4H,5H2,(H,15,16)/t9-/m1/s1
InChIKeyICNZFBCSCUBOCF-SECBINFHSA-N
XLogP2.10
TPSA41.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.16
LogP ≤ 52.10
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

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CID 95051970
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CID 6558828
N-(2-fluorophenyl)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxamide
CID 2972132
(1R,3S,6S,7R)-N-(2-fluorophenyl)-6,7-dimethyl-4-oxatricyclo[4.3.0.03,7]nonane-3-carboxamide
CID 23375543
trans-(1R,2R)-1-N,2-N-bis(2-fluorophenyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 828858
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CID 79410579
N-(2-fluorophenyl)-4-thiophen-2-yloxane-4-carboxamide
CID 7243546
1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108982341
N-(2-fluorophenyl)-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 42435427
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide?
The IUPAC name of (2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide (CID 87995082) is (2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide?
The canonical SMILES for (2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide is O=C(Nc1ccccc1F)[C@@]1(C(F)(F)F)CO1.
What is the InChIKey of (2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide?
The InChIKey is ICNZFBCSCUBOCF-SECBINFHSA-N. The full InChI is InChI=1S/C10H7F4NO2/c11-6-3-1-2-4-7(6)15-8(16)9(5-17-9)10(12,13)14/h1-4H,5H2,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide?
(2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide has a molecular weight of 249.16 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-fluorophenyl)-2-(trifluoromethyl)oxirane-2-carboxamide is sourced from PubChem (CID 87995082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).