3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide

C11H15F6NO2 — CID 103310185

IUPAC3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide
SMILESO=C(NCC1(O)CCCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO2/c12-10(13,14)7(11(15,16)17)8(19)18-6-9(20)4-2-1-3-5-9/h7,20H,1-6H2,(H,18,19)
InChIKeyXWERNLXFORGHPU-UHFFFAOYSA-N
MW307.23 g/mol
LogP2.54
Rot. Bonds3

About 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide (PubChem CID 103310185) has the molecular formula C11H15F6NO2 and a molecular weight of 307.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide
PubChem CID103310185
Molecular FormulaC11H15F6NO2
Molecular Weight307.23 g/mol
Exact Mass307.10
IUPAC Name3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide
SMILESO=C(NCC1(O)CCCCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H15F6NO2/c12-10(13,14)7(11(15,16)17)8(19)18-6-9(20)4-2-1-3-5-9/h7,20H,1-6H2,(H,18,19)
InChIKeyXWERNLXFORGHPU-UHFFFAOYSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.23
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclohexyl-3-hydroxy-3-methylbutan-2-yl)-2,2,2-trifluoroacetamide
CID 21594526
2-[(1-hydroxycyclohexyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 64059072
3,3,3-trifluoro-N-[(1-hydroxycyclopentyl)methyl]propanamide
CID 64195509
3,3,3-trifluoro-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 64457904
2,2,2-trifluoro-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 65110343
N-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 65113464
3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 65113661
3,3,3-trifluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]propanamide
CID 65119605
2,2,2-trifluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]acetamide
CID 65119937
3,3,3-trifluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]propanamide
CID 65120103
3,3,3-trifluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]propanamide
CID 65124050
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-3,3,3-trifluoropropanamide
CID 65124077

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide (CID 103310185) is 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide is O=C(NCC1(O)CCCCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide?
The InChIKey is XWERNLXFORGHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F6NO2/c12-10(13,14)7(11(15,16)17)8(19)18-6-9(20)4-2-1-3-5-9/h7,20H,1-6H2,(H,18,19).
What are the key properties of 3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-[(1-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide has a molecular weight of 307.23 g/mol, XLogP of 2.54, 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-hydroxycyclohexyl)methyl]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103310185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).