4,4-difluoro-1-hydroxy-3-methylcyclohexane-1-carboxamide

C8H13F2NO2 — CID 118556055

IUPAC4,4-difluoro-1-hydroxy-3-methylcyclohexane-1-carboxamide
SMILESCC1CC(O)(C(N)=O)CCC1(F)F
InChIInChI=1S/C8H13F2NO2/c1-5-4-7(13,6(11)12)2-3-8(5,9)10/h5,13H,2-4H2,1H3,(H2,11,12)
InChIKeyUZWAXTPPMNZVTD-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.66
Rot. Bonds1

About 4,4-difluoro-1-hydroxy-3-methylcyclohexane-1-carboxamide

4,4-difluoro-1-hydroxy-3-methylcyclohexane-1-carboxamide (PubChem CID 118556055) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 4,4-difluoro-1-hydroxy-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-1-hydroxy-3-methylcyclohexane-1-carboxamide
PubChem CID118556055
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name4,4-difluoro-1-hydroxy-3-methylcyclohexane-1-carboxamide
SMILESCC1CC(O)(C(N)=O)CCC1(F)F
InChIInChI=1S/C8H13F2NO2/c1-5-4-7(13,6(11)12)2-3-8(5,9)10/h5,13H,2-4H2,1H3,(H2,11,12)
InChIKeyUZWAXTPPMNZVTD-UHFFFAOYSA-N
XLogP0.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-hydroxy-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-1-hydroxy-3-methylcyclohexane-1-carboxamide (CID 118556055) is 4,4-difluoro-1-hydroxy-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-1-hydroxy-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-1-hydroxy-3-methylcyclohexane-1-carboxamide is CC1CC(O)(C(N)=O)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-1-hydroxy-3-methylcyclohexane-1-carboxamide?
The InChIKey is UZWAXTPPMNZVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5-4-7(13,6(11)12)2-3-8(5,9)10/h5,13H,2-4H2,1H3,(H2,11,12).
What are the key properties of 4,4-difluoro-1-hydroxy-3-methylcyclohexane-1-carboxamide?
4,4-difluoro-1-hydroxy-3-methylcyclohexane-1-carboxamide has a molecular weight of 193.19 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-hydroxy-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 118556055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).