N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide

C11H18F3NO3 — CID 110890079

IUPACN-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C11H18F3NO3/c1-7(18-6-11(12,13)14)10(17)15-8-2-4-9(16)5-3-8/h7-9,16H,2-6H2,1H3,(H,15,17)
InChIKeySWFBAVUAXHMMTP-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.37
Rot. Bonds4

About N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide

N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 110890079) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide
PubChem CID110890079
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC NameN-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide
SMILESCC(OCC(F)(F)F)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C11H18F3NO3/c1-7(18-6-11(12,13)14)10(17)15-8-2-4-9(16)5-3-8/h7-9,16H,2-6H2,1H3,(H,15,17)
InChIKeySWFBAVUAXHMMTP-UHFFFAOYSA-N
XLogP1.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide (CID 110890079) is N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide is CC(OCC(F)(F)F)C(=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is SWFBAVUAXHMMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-7(18-6-11(12,13)14)10(17)15-8-2-4-9(16)5-3-8/h7-9,16H,2-6H2,1H3,(H,15,17).
What are the key properties of N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide?
N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 269.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 110890079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).