4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide

C12H19F2NO3 — CID 103860805

IUPAC4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCC1(O)CCOC1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2NO3/c13-12(14)3-1-9(2-4-12)10(16)15-7-11(17)5-6-18-8-11/h9,17H,1-8H2,(H,15,16)
InChIKeyWANXHYLWPMDFOX-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.08
Rot. Bonds3

About 4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide

4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 103860805) has the molecular formula C12H19F2NO3 and a molecular weight of 263.28 g/mol. Its IUPAC name is 4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID103860805
Molecular FormulaC12H19F2NO3
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide
SMILESO=C(NCC1(O)CCOC1)C1CCC(F)(F)CC1
InChIInChI=1S/C12H19F2NO3/c13-12(14)3-1-9(2-4-12)10(16)15-7-11(17)5-6-18-8-11/h9,17H,1-8H2,(H,15,16)
InChIKeyWANXHYLWPMDFOX-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide (CID 103860805) is 4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide is O=C(NCC1(O)CCOC1)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is WANXHYLWPMDFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO3/c13-12(14)3-1-9(2-4-12)10(16)15-7-11(17)5-6-18-8-11/h9,17H,1-8H2,(H,15,16).
What are the key properties of 4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide?
4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 263.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 103860805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).