N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide

C11H18F3NO3 — CID 62366648

IUPACN-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NC1CCCCC1O
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)7-18-6-5-10(17)15-8-3-1-2-4-9(8)16/h8-9,16H,1-7H2,(H,15,17)
InChIKeyQGKMLAUMWODKGR-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.38
Rot. Bonds5

About N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide

N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 62366648) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID62366648
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC NameN-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NC1CCCCC1O
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)7-18-6-5-10(17)15-8-3-1-2-4-9(8)16/h8-9,16H,1-7H2,(H,15,17)
InChIKeyQGKMLAUMWODKGR-UHFFFAOYSA-N
XLogP1.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide (CID 62366648) is N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NC1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is QGKMLAUMWODKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c12-11(13,14)7-18-6-5-10(17)15-8-3-1-2-4-9(8)16/h8-9,16H,1-7H2,(H,15,17).
What are the key properties of N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide?
N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 269.26 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 62366648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).