N-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C12H20F3NO3 — CID 80742493

IUPACN-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCOCC(O)CNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO3/c1-19-7-10(17)6-16-11(18)8-3-2-4-9(5-8)12(13,14)15/h8-10,17H,2-7H2,1H3,(H,16,18)
InChIKeyUYCOEOFILCTIJN-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.48
Rot. Bonds5

About N-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 80742493) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID80742493
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCOCC(O)CNC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H20F3NO3/c1-19-7-10(17)6-16-11(18)8-3-2-4-9(5-8)12(13,14)15/h8-10,17H,2-7H2,1H3,(H,16,18)
InChIKeyUYCOEOFILCTIJN-UHFFFAOYSA-N
XLogP1.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 80742493) is N-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is COCC(O)CNC(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is UYCOEOFILCTIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-19-7-10(17)6-16-11(18)8-3-2-4-9(5-8)12(13,14)15/h8-10,17H,2-7H2,1H3,(H,16,18).
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 1.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 80742493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).