N-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide

C11H18F3NO4 — CID 103954179

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NC1(CO)CCOCC1
InChIInChI=1S/C11H18F3NO4/c12-11(13,14)8-19-4-1-9(17)15-10(7-16)2-5-18-6-3-10/h16H,1-8H2,(H,15,17)
InChIKeyCEHVJFCPFPXSQX-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.61
Rot. Bonds6

About N-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide

N-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103954179) has the molecular formula C11H18F3NO4 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103954179
Molecular FormulaC11H18F3NO4
Molecular Weight285.26 g/mol
Exact Mass285.12
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NC1(CO)CCOCC1
InChIInChI=1S/C11H18F3NO4/c12-11(13,14)8-19-4-1-9(17)15-10(7-16)2-5-18-6-3-10/h16H,1-8H2,(H,15,17)
InChIKeyCEHVJFCPFPXSQX-UHFFFAOYSA-N
XLogP0.61
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide (CID 103954179) is N-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NC1(CO)CCOCC1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is CEHVJFCPFPXSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO4/c12-11(13,14)8-19-4-1-9(17)15-10(7-16)2-5-18-6-3-10/h16H,1-8H2,(H,15,17).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide?
N-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 285.26 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103954179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).