4-(2,4-difluorophenyl)oxane-4-carboxamide

C12H13F2NO2 — CID 67504701

IUPAC4-(2,4-difluorophenyl)oxane-4-carboxamide
SMILESNC(=O)C1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C12H13F2NO2/c13-8-1-2-9(10(14)7-8)12(11(15)16)3-5-17-6-4-12/h1-2,7H,3-6H2,(H2,15,16)
InChIKeyKXOPEYLUYSHCCG-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.50
Rot. Bonds2

About 4-(2,4-difluorophenyl)oxane-4-carboxamide

4-(2,4-difluorophenyl)oxane-4-carboxamide (PubChem CID 67504701) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)oxane-4-carboxamide
PubChem CID67504701
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name4-(2,4-difluorophenyl)oxane-4-carboxamide
SMILESNC(=O)C1(c2ccc(F)cc2F)CCOCC1
InChIInChI=1S/C12H13F2NO2/c13-8-1-2-9(10(14)7-8)12(11(15)16)3-5-17-6-4-12/h1-2,7H,3-6H2,(H2,15,16)
InChIKeyKXOPEYLUYSHCCG-UHFFFAOYSA-N
XLogP1.50
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)oxane-4-carboxamide?
The IUPAC name of 4-(2,4-difluorophenyl)oxane-4-carboxamide (CID 67504701) is 4-(2,4-difluorophenyl)oxane-4-carboxamide.
What is the SMILES notation for 4-(2,4-difluorophenyl)oxane-4-carboxamide?
The canonical SMILES for 4-(2,4-difluorophenyl)oxane-4-carboxamide is NC(=O)C1(c2ccc(F)cc2F)CCOCC1.
What is the InChIKey of 4-(2,4-difluorophenyl)oxane-4-carboxamide?
The InChIKey is KXOPEYLUYSHCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-8-1-2-9(10(14)7-8)12(11(15)16)3-5-17-6-4-12/h1-2,7H,3-6H2,(H2,15,16).
What are the key properties of 4-(2,4-difluorophenyl)oxane-4-carboxamide?
4-(2,4-difluorophenyl)oxane-4-carboxamide has a molecular weight of 241.24 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)oxane-4-carboxamide is sourced from PubChem (CID 67504701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).