4,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide

C13H23F2NO2 — CID 103860185

IUPAC4,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide
SMILESCC(C)C(CCO)NC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2NO2/c1-9(2)11(5-8-17)16-12(18)10-3-6-13(14,15)7-4-10/h9-11,17H,3-8H2,1-2H3,(H,16,18)
InChIKeyXTAVTYQFPFRYNE-UHFFFAOYSA-N
MW263.33 g/mol
LogP2.34
Rot. Bonds5

About 4,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide

4,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide (PubChem CID 103860185) has the molecular formula C13H23F2NO2 and a molecular weight of 263.33 g/mol. Its IUPAC name is 4,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide
PubChem CID103860185
Molecular FormulaC13H23F2NO2
Molecular Weight263.33 g/mol
Exact Mass263.17
IUPAC Name4,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide
SMILESCC(C)C(CCO)NC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C13H23F2NO2/c1-9(2)11(5-8-17)16-12(18)10-3-6-13(14,15)7-4-10/h9-11,17H,3-8H2,1-2H3,(H,16,18)
InChIKeyXTAVTYQFPFRYNE-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxypropyl)cyclohexanecarboxamide
CID 24285039
4-cyclohexyl-N-(3-hydroxypropyl)butanamide
CID 43390100
2-cyclohexyl-N-(3-hydroxypropyl)acetamide
CID 43390121
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
4,4-difluoro-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 81932865
2-cyclohexyl-N-[(3S)-1-hydroxy-4-methylpentan-3-yl]acetamide
CID 97012317
N-[(1S)-1-cyclohexyl-3-hydroxypropyl]-2,2-difluoro-2-(1-hydroxycyclohexyl)acetamide
CID 100647310
3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 126787139
4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxy-N-(2-methylpropyl)pentanamide
CID 14277664
4,4-difluoro-N-propan-2-ylcyclohexane-1-carboxamide
CID 81932076
4,4-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 81932133
4,4-difluoro-N-(2-hydroxypropyl)cyclohexane-1-carboxamide
CID 81932209

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide (CID 103860185) is 4,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide is CC(C)C(CCO)NC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is XTAVTYQFPFRYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO2/c1-9(2)11(5-8-17)16-12(18)10-3-6-13(14,15)7-4-10/h9-11,17H,3-8H2,1-2H3,(H,16,18).
What are the key properties of 4,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide?
4,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 263.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103860185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).