4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene

C14H14F3NO — CID 164969778

IUPAC4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene
SMILESCN1CC(OCc2cc(F)c(F)c(F)c2)CC12C=C2
InChIInChI=1S/C14H14F3NO/c1-18-7-10(6-14(18)2-3-14)19-8-9-4-11(15)13(17)12(16)5-9/h2-5,10H,6-8H2,1H3
InChIKeyDTPSLLUMNGTUPV-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.63
Rot. Bonds3

About 4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene

4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene (PubChem CID 164969778) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene.

Molecular Properties

Compound Name4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene
PubChem CID164969778
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene
SMILESCN1CC(OCc2cc(F)c(F)c(F)c2)CC12C=C2
InChIInChI=1S/C14H14F3NO/c1-18-7-10(6-14(18)2-3-14)19-8-9-4-11(15)13(17)12(16)5-9/h2-5,10H,6-8H2,1H3
InChIKeyDTPSLLUMNGTUPV-UHFFFAOYSA-N
XLogP2.63
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene 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

tert-butyl 2-methylidene-4-[(3,4,5-trifluorophenyl)methoxy]pyrrolidine-1-carboxylate
CID 151750721
CID 177447017
CID 177447017
(2S)-1,2-dimethyl-7-[(3,4,5-trifluorophenyl)methoxy]-3,5-dihydro-2H-imidazo[1,2-c]pyrimidine
CID 141409366
4-(cyclobutyloxymethyl)-1,2-difluorobenzene
CID 155941931
(3,4,5-trifluorophenyl)methyl methanesulfonate
CID 102620887
5-(butoxymethyl)-1,2,3-trifluorobenzene
CID 91719120
(3,4,5-trifluorophenyl)methyl formate
CID 87066177
(2S)-1,2-dimethyl-8-[(3,4,5-trifluorophenyl)methoxy]-2,3,4,6-tetrahydropyrimido[1,2-c]pyrimidine
CID 141407429
3-[(3,5-difluorophenyl)methoxy]cyclobutan-1-amine
CID 105404486
tert-butyl-dimethyl-[(3,4,5-trifluorophenyl)methoxy]silane
CID 91735449
[(1R,2S,4R)-2-amino-4-[(3,4-difluorophenyl)methoxy]-2-(2-fluorophenyl)-1-methylcyclopentyl]methanol
CID 143834734
ethane;1,2,3-trifluoro-5-(2-methylpropyl)benzene
CID 145128003

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene?
The IUPAC name of 4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene (CID 164969778) is 4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene.
What is the SMILES notation for 4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene?
The canonical SMILES for 4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene is CN1CC(OCc2cc(F)c(F)c(F)c2)CC12C=C2.
What is the InChIKey of 4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene?
The InChIKey is DTPSLLUMNGTUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-18-7-10(6-14(18)2-3-14)19-8-9-4-11(15)13(17)12(16)5-9/h2-5,10H,6-8H2,1H3.
What are the key properties of 4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene?
4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene has a molecular weight of 269.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(3,4,5-trifluorophenyl)methoxy]-4-azaspiro[2.4]hept-1-ene is sourced from PubChem (CID 164969778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).