N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]oxolane-3-carboxamide

C13H12F5NO2 — CID 86788210

IUPACN-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]oxolane-3-carboxamide
SMILESO=C(NC(c1cccc(F)c1F)C(F)(F)F)C1CCOC1
InChIInChI=1S/C13H12F5NO2/c14-9-3-1-2-8(10(9)15)11(13(16,17)18)19-12(20)7-4-5-21-6-7/h1-3,7,11H,4-6H2,(H,19,20)
InChIKeyXRWVYZKMRJWNBQ-UHFFFAOYSA-N
MW309.23 g/mol
LogP2.72
Rot. Bonds3

About N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]oxolane-3-carboxamide

N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]oxolane-3-carboxamide (PubChem CID 86788210) has the molecular formula C13H12F5NO2 and a molecular weight of 309.23 g/mol. Its IUPAC name is N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]oxolane-3-carboxamide
PubChem CID86788210
Molecular FormulaC13H12F5NO2
Molecular Weight309.23 g/mol
Exact Mass309.08
IUPAC NameN-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]oxolane-3-carboxamide
SMILESO=C(NC(c1cccc(F)c1F)C(F)(F)F)C1CCOC1
InChIInChI=1S/C13H12F5NO2/c14-9-3-1-2-8(10(9)15)11(13(16,17)18)19-12(20)7-4-5-21-6-7/h1-3,7,11H,4-6H2,(H,19,20)
InChIKeyXRWVYZKMRJWNBQ-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]oxolane-3-carboxamide?
The IUPAC name of N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]oxolane-3-carboxamide (CID 86788210) is N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]oxolane-3-carboxamide?
The canonical SMILES for N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]oxolane-3-carboxamide is O=C(NC(c1cccc(F)c1F)C(F)(F)F)C1CCOC1.
What is the InChIKey of N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]oxolane-3-carboxamide?
The InChIKey is XRWVYZKMRJWNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F5NO2/c14-9-3-1-2-8(10(9)15)11(13(16,17)18)19-12(20)7-4-5-21-6-7/h1-3,7,11H,4-6H2,(H,19,20).
What are the key properties of N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]oxolane-3-carboxamide?
N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]oxolane-3-carboxamide has a molecular weight of 309.23 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-difluorophenyl)-2,2,2-trifluoroethyl]oxolane-3-carboxamide is sourced from PubChem (CID 86788210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).