3,3,3-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide

C12H20F3NO2 — CID 65119605

IUPAC3,3,3-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide
SMILESCC1(C)CCC(O)(CNC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-10(2)3-5-11(18,6-4-10)8-16-9(17)7-12(13,14)15/h18H,3-8H2,1-2H3,(H,16,17)
InChIKeySNHBSNDZSFEDRY-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.39
Rot. Bonds3

About 3,3,3-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide

3,3,3-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide (PubChem CID 65119605) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide
PubChem CID65119605
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC Name3,3,3-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide
SMILESCC1(C)CCC(O)(CNC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C12H20F3NO2/c1-10(2)3-5-11(18,6-4-10)8-16-9(17)7-12(13,14)15/h18H,3-8H2,1-2H3,(H,16,17)
InChIKeySNHBSNDZSFEDRY-UHFFFAOYSA-N
XLogP2.39
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.39
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-4,4-dimethylcyclohexyl)methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide (CID 65119605) is 3,3,3-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide is CC1(C)CCC(O)(CNC(=O)CC(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide?
The InChIKey is SNHBSNDZSFEDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-10(2)3-5-11(18,6-4-10)8-16-9(17)7-12(13,14)15/h18H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 3,3,3-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide?
3,3,3-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide has a molecular weight of 267.29 g/mol, XLogP of 2.39, 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-4,4-dimethylcyclohexyl)methyl]propanamide is sourced from PubChem (CID 65119605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).