N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide

C9H14F3NO3 — CID 86850738

IUPACN-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)C1CCOC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)6-16-4-2-13-8(14)7-1-3-15-5-7/h7H,1-6H2,(H,13,14)
InChIKeyLXFIWHZHXXHHEQ-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.72
Rot. Bonds5

About N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide

N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide (PubChem CID 86850738) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
PubChem CID86850738
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC NameN-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
SMILESO=C(NCCOCC(F)(F)F)C1CCOC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)6-16-4-2-13-8(14)7-1-3-15-5-7/h7H,1-6H2,(H,13,14)
InChIKeyLXFIWHZHXXHHEQ-UHFFFAOYSA-N
XLogP0.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide
CID 63826716
cis-(1S,3R)-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092359
N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidine-3-carboxamide
CID 63827244
N-(oxolan-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490796
2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid
CID 79457821
6-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-3-carboxamide
CID 63829009
N-[2,2-dimethyl-3-(oxolane-3-carbonylamino)propyl]oxolane-3-carboxamide
CID 127304188
2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978794
N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
CID 115700210
N-(4-bromobutyl)oxolane-3-carboxamide
CID 106845774
(2S,5R)-5-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120785667

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide (CID 86850738) is N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide is O=C(NCCOCC(F)(F)F)C1CCOC1.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide?
The InChIKey is LXFIWHZHXXHHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)6-16-4-2-13-8(14)7-1-3-15-5-7/h7H,1-6H2,(H,13,14).
What are the key properties of N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide?
N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide has a molecular weight of 241.21 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 86850738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).