3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide

C11H18F3NO2 — CID 65124050

IUPAC3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
SMILESCC1CCCC(O)(CNC(=O)CC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-8-3-2-4-10(17,5-8)7-15-9(16)6-11(12,13)14/h8,17H,2-7H2,1H3,(H,15,16)
InChIKeyCPBMCAHYHHTTIP-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.00
Rot. Bonds3

About 3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide

3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide (PubChem CID 65124050) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
PubChem CID65124050
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
SMILESCC1CCCC(O)(CNC(=O)CC(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-8-3-2-4-10(17,5-8)7-15-9(16)6-11(12,13)14/h8,17H,2-7H2,1H3,(H,15,16)
InChIKeyCPBMCAHYHHTTIP-UHFFFAOYSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide (CID 65124050) is 3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide is CC1CCCC(O)(CNC(=O)CC(F)(F)F)C1.
What is the InChIKey of 3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
The InChIKey is CPBMCAHYHHTTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-8-3-2-4-10(17,5-8)7-15-9(16)6-11(12,13)14/h8,17H,2-7H2,1H3,(H,15,16).
What are the key properties of 3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide?
3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide has a molecular weight of 253.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 65124050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).