N-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide

C12H13F2NO2 — CID 42955798

IUPACN-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)C1CCCO1
InChIInChI=1S/C12H13F2NO2/c13-9-4-8(5-10(14)6-9)7-15-12(16)11-2-1-3-17-11/h4-6,11H,1-3,7H2,(H,15,16)
InChIKeyVWJLBVHSJGHLGI-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.76
Rot. Bonds3

About N-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide

N-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide (PubChem CID 42955798) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide
PubChem CID42955798
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC NameN-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide
SMILESO=C(NCc1cc(F)cc(F)c1)C1CCCO1
InChIInChI=1S/C12H13F2NO2/c13-9-4-8(5-10(14)6-9)7-15-12(16)11-2-1-3-17-11/h4-6,11H,1-3,7H2,(H,15,16)
InChIKeyVWJLBVHSJGHLGI-UHFFFAOYSA-N
XLogP1.76
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide?
The IUPAC name of N-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide (CID 42955798) is N-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide is O=C(NCc1cc(F)cc(F)c1)C1CCCO1.
What is the InChIKey of N-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide?
The InChIKey is VWJLBVHSJGHLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-9-4-8(5-10(14)6-9)7-15-12(16)11-2-1-3-17-11/h4-6,11H,1-3,7H2,(H,15,16).
What are the key properties of N-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide?
N-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide has a molecular weight of 241.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-difluorophenyl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 42955798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).