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

C12H20F3NO3 — CID 65113464

IUPACN-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCC1(O)CCCCC1
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)9-19-7-4-10(17)16-8-11(18)5-2-1-3-6-11/h18H,1-9H2,(H,16,17)
InChIKeyQANVUMYOQGQFIW-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.77
Rot. Bonds6

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

N-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 65113464) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID65113464
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NCC1(O)CCCCC1
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)9-19-7-4-10(17)16-8-11(18)5-2-1-3-6-11/h18H,1-9H2,(H,16,17)
InChIKeyQANVUMYOQGQFIW-UHFFFAOYSA-N
XLogP1.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.77
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-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 65113464) is N-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is QANVUMYOQGQFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c13-12(14,15)9-19-7-4-10(17)16-8-11(18)5-2-1-3-6-11/h18H,1-9H2,(H,16,17).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 283.29 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 65113464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).