N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide

C13H14F3NO3 — CID 74236468

IUPACN-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
SMILESO=C(NCc1cccc(OC(F)(F)F)c1)C1CCOC1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)20-11-3-1-2-9(6-11)7-17-12(18)10-4-5-19-8-10/h1-3,6,10H,4-5,7-8H2,(H,17,18)
InChIKeyJRPPBDCJMKXMFD-UHFFFAOYSA-N
MW289.25 g/mol
LogP2.24
Rot. Bonds4

About N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide

N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide (PubChem CID 74236468) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
PubChem CID74236468
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC NameN-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide
SMILESO=C(NCc1cccc(OC(F)(F)F)c1)C1CCOC1
InChIInChI=1S/C13H14F3NO3/c14-13(15,16)20-11-3-1-2-9(6-11)7-17-12(18)10-4-5-19-8-10/h1-3,6,10H,4-5,7-8H2,(H,17,18)
InChIKeyJRPPBDCJMKXMFD-UHFFFAOYSA-N
XLogP2.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide (CID 74236468) is N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide is O=C(NCc1cccc(OC(F)(F)F)c1)C1CCOC1.
What is the InChIKey of N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide?
The InChIKey is JRPPBDCJMKXMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO3/c14-13(15,16)20-11-3-1-2-9(6-11)7-17-12(18)10-4-5-19-8-10/h1-3,6,10H,4-5,7-8H2,(H,17,18).
What are the key properties of N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide?
N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide has a molecular weight of 289.25 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethoxy)phenyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 74236468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).