2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

C14H14F5NO2 — CID 175938566

IUPAC2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCC1CC(C(N)=O)(c2ccc(F)c(F)c2)OC1(C)C(F)(F)F
InChIInChI=1S/C14H14F5NO2/c1-7-6-13(11(20)21,22-12(7,2)14(17,18)19)8-3-4-9(15)10(16)5-8/h3-5,7H,6H2,1-2H3,(H2,20,21)
InChIKeyCVNISIPNNLXGKN-UHFFFAOYSA-N
MW323.26 g/mol
LogP3.02
Rot. Bonds2

About 2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide

2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 175938566) has the molecular formula C14H14F5NO2 and a molecular weight of 323.26 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID175938566
Molecular FormulaC14H14F5NO2
Molecular Weight323.26 g/mol
Exact Mass323.09
IUPAC Name2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
SMILESCC1CC(C(N)=O)(c2ccc(F)c(F)c2)OC1(C)C(F)(F)F
InChIInChI=1S/C14H14F5NO2/c1-7-6-13(11(20)21,22-12(7,2)14(17,18)19)8-3-4-9(15)10(16)5-8/h3-5,7H,6H2,1-2H3,(H2,20,21)
InChIKeyCVNISIPNNLXGKN-UHFFFAOYSA-N
XLogP3.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide (CID 175938566) is 2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is CC1CC(C(N)=O)(c2ccc(F)c(F)c2)OC1(C)C(F)(F)F.
What is the InChIKey of 2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is CVNISIPNNLXGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F5NO2/c1-7-6-13(11(20)21,22-12(7,2)14(17,18)19)8-3-4-9(15)10(16)5-8/h3-5,7H,6H2,1-2H3,(H2,20,21).
What are the key properties of 2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide?
2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 323.26 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 175938566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).