(3S)-N-ethyl-N-[4-(trifluoromethyl)phenyl]oxolane-3-carboxamide

C14H16F3NO2 — CID 124844898

IUPAC(3S)-N-ethyl-N-[4-(trifluoromethyl)phenyl]oxolane-3-carboxamide
SMILESCCN(C(=O)[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO2/c1-2-18(13(19)10-7-8-20-9-10)12-5-3-11(4-6-12)14(15,16)17/h3-6,10H,2,7-9H2,1H3/t10-/m0/s1
InChIKeyHAZIRFNEZPVSQG-JTQLQIEISA-N
MW287.28 g/mol
LogP3.09
Rot. Bonds3

About (3S)-N-ethyl-N-[4-(trifluoromethyl)phenyl]oxolane-3-carboxamide

(3S)-N-ethyl-N-[4-(trifluoromethyl)phenyl]oxolane-3-carboxamide (PubChem CID 124844898) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is (3S)-N-ethyl-N-[4-(trifluoromethyl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-ethyl-N-[4-(trifluoromethyl)phenyl]oxolane-3-carboxamide
PubChem CID124844898
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name(3S)-N-ethyl-N-[4-(trifluoromethyl)phenyl]oxolane-3-carboxamide
SMILESCCN(C(=O)[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3NO2/c1-2-18(13(19)10-7-8-20-9-10)12-5-3-11(4-6-12)14(15,16)17/h3-6,10H,2,7-9H2,1H3/t10-/m0/s1
InChIKeyHAZIRFNEZPVSQG-JTQLQIEISA-N
XLogP3.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-ethyl-N-[4-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-ethyl-N-[4-(trifluoromethyl)phenyl]oxolane-3-carboxamide (CID 124844898) is (3S)-N-ethyl-N-[4-(trifluoromethyl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-ethyl-N-[4-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-ethyl-N-[4-(trifluoromethyl)phenyl]oxolane-3-carboxamide is CCN(C(=O)[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (3S)-N-ethyl-N-[4-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
The InChIKey is HAZIRFNEZPVSQG-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-2-18(13(19)10-7-8-20-9-10)12-5-3-11(4-6-12)14(15,16)17/h3-6,10H,2,7-9H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-N-ethyl-N-[4-(trifluoromethyl)phenyl]oxolane-3-carboxamide?
(3S)-N-ethyl-N-[4-(trifluoromethyl)phenyl]oxolane-3-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-ethyl-N-[4-(trifluoromethyl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 124844898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).