N-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide

C11H18F3NO3 — CID 86929036

IUPACN-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)8-18-5-1-4-15-10(16)9-2-6-17-7-3-9/h9H,1-8H2,(H,15,16)
InChIKeyKROSBIOPXDKGPY-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.50
Rot. Bonds6

About N-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide

N-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide (PubChem CID 86929036) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide
PubChem CID86929036
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC NameN-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide
SMILESO=C(NCCCOCC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H18F3NO3/c12-11(13,14)8-18-5-1-4-15-10(16)9-2-6-17-7-3-9/h9H,1-8H2,(H,15,16)
InChIKeyKROSBIOPXDKGPY-UHFFFAOYSA-N
XLogP1.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-carboxamide
CID 71863294
N-(3-ethoxypropyl)oxane-4-carboxamide
CID 51073129
2,2,2-trifluoro-N-[3-(oxan-4-yl)propyl]acetamide
CID 87194404
(2S)-2-(2-methoxyethyl)-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 156078477
ethane;N-propyl-4-(trifluoromethyl)oxane-4-carboxamide
CID 164555847
ethane;N-ethyl-4-(trifluoromethyl)oxane-4-carboxamide
CID 164556022
4-(Trifluoromethoxymethyl)piperidin-2-one
CID 176344607
4-(Butoxymethyl)-3,3-difluoropiperidin-2-one
CID 46177421
N-[2-(trifluoromethylsulfanyl)ethyl]oxane-4-carboxamide
CID 51081377
4-[[3-(2,2,2-Trifluoroethoxy)propanoylamino]methyl]oxane-4-carboxamide
CID 56797961
N-[2-(2,2,2-trifluoroethoxy)ethyl]oxane-4-carboxamide
CID 60401429
4-(aminomethyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
CID 61830243

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide?
The IUPAC name of N-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide (CID 86929036) is N-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide?
The canonical SMILES for N-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide is O=C(NCCCOCC(F)(F)F)C1CCOCC1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide?
The InChIKey is KROSBIOPXDKGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c12-11(13,14)8-18-5-1-4-15-10(16)9-2-6-17-7-3-9/h9H,1-8H2,(H,15,16).
What are the key properties of N-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide?
N-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide has a molecular weight of 269.26 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethoxy)propyl]oxane-4-carboxamide is sourced from PubChem (CID 86929036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).