4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide

C11H18F3NO2 — CID 102635160

IUPAC4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide
SMILESCN(C(=O)CCC(F)(F)F)C1CCCCC1O
InChIInChI=1S/C11H18F3NO2/c1-15(8-4-2-3-5-9(8)16)10(17)6-7-11(12,13)14/h8-9,16H,2-7H2,1H3
InChIKeyIDSDNRDSQBBHKX-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.09
Rot. Bonds3

About 4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide

4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide (PubChem CID 102635160) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide
PubChem CID102635160
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide
SMILESCN(C(=O)CCC(F)(F)F)C1CCCCC1O
InChIInChI=1S/C11H18F3NO2/c1-15(8-4-2-3-5-9(8)16)10(17)6-7-11(12,13)14/h8-9,16H,2-7H2,1H3
InChIKeyIDSDNRDSQBBHKX-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 21846889
2,2,2-trifluoro-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylacetamide
CID 53643997
2,2,2-trifluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide
CID 58468184
tert-butyl-[(1R)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid
CID 67122932
tert-butyl-[(1R,2S)-3,3-difluoro-2-hydroxycyclohexyl]carbamic acid
CID 67122971
2,2,2-trifluoro-1-[(2R,5S)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
CID 117635119
2-fluoro-N-(4-hydroxycyclohexyl)-N-methylacetamide
CID 152520169
2,2,2-trifluoro-1-[(2S,5S)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
CID 153951885
2,2,3,3,4,4,4-heptafluoro-N-(2-hydroxycyclohexyl)butanamide
CID 3731946
2,2,3,3,4,4,4-heptafluoro-N-[(1R,2S)-2-hydroxycyclohexyl]butanamide
CID 40538954
2,2,3,3,4,4,4-heptafluoro-N-[(1S,2S)-2-hydroxycyclohexyl]butanamide
CID 40538958
2,2,3,3,4,4,4-heptafluoro-N-[(1R,2R)-2-hydroxycyclohexyl]butanamide
CID 40538963

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide?
The IUPAC name of 4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide (CID 102635160) is 4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide is CN(C(=O)CCC(F)(F)F)C1CCCCC1O.
What is the InChIKey of 4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide?
The InChIKey is IDSDNRDSQBBHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-15(8-4-2-3-5-9(8)16)10(17)6-7-11(12,13)14/h8-9,16H,2-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide?
4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide has a molecular weight of 253.26 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-hydroxycyclohexyl)-N-methylbutanamide is sourced from PubChem (CID 102635160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).