2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane

C19H14F6O — CID 138468448

IUPAC2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane
SMILESCC1CCC(c2cc(F)c3c(F)c(C#CC(F)(F)F)c(F)cc3c2)CO1
InChIInChI=1S/C19H14F6O/c1-10-2-3-11(9-26-10)12-6-13-8-15(20)14(4-5-19(23,24)25)18(22)17(13)16(21)7-12/h6-8,10-11H,2-3,9H2,1H3
InChIKeyKMQQULWSIWBTQL-UHFFFAOYSA-N
MW372.31 g/mol
LogP5.45
Rot. Bonds1

About 2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane

2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane (PubChem CID 138468448) has the molecular formula C19H14F6O and a molecular weight of 372.31 g/mol. Its IUPAC name is 2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane.

Molecular Properties

Compound Name2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane
PubChem CID138468448
Molecular FormulaC19H14F6O
Molecular Weight372.31 g/mol
Exact Mass372.09
IUPAC Name2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane
SMILESCC1CCC(c2cc(F)c3c(F)c(C#CC(F)(F)F)c(F)cc3c2)CO1
InChIInChI=1S/C19H14F6O/c1-10-2-3-11(9-26-10)12-6-13-8-15(20)14(4-5-19(23,24)25)18(22)17(13)16(21)7-12/h6-8,10-11H,2-3,9H2,1H3
InChIKeyKMQQULWSIWBTQL-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.31
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane 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

5-[4-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenyl]phenyl]-2-methyloxane
CID 70955843
5-methyl-2-[6-[2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethynyl]naphthalen-2-yl]oxane
CID 138468510
6-[4-(4-cyclohexylcyclohexen-1-yl)cyclohexyl]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138459016
5-methyl-2-[4-[(E)-2-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethenyl]cyclohexyl]-1,3-dioxane
CID 138468731
2-[5,7-difluoro-6-[[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]methoxy]naphthalen-2-yl]-5-methyl-1,3-dioxane
CID 138468667
[4-(5-methyloxan-2-yl)phenoxy]-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]methanol
CID 138468109
2-[4-[4-[difluoro-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxymethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-methyl-1,3-dioxane
CID 138468147
6-[difluoro-[4-(6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)cyclohexyl]methoxy]-1,3,8-trifluoro-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138468331
6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbaldehyde;1,3,8-trifluoro-6-methoxy-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 145389422
1,3,8-trifluoro-6-(4-propylcyclohexen-1-yl)-2-(3,3,3-trifluoroprop-1-ynyl)naphthalene
CID 138459075
2-[4-[2-[5,7-difluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]ethyl]-3,5-difluorophenyl]-5-methyloxane
CID 138468518
[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl] 4-methylcyclohex-3-ene-1-carboxylate
CID 138468685

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane?
The IUPAC name of 2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane (CID 138468448) is 2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane.
What is the SMILES notation for 2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane?
The canonical SMILES for 2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane is CC1CCC(c2cc(F)c3c(F)c(C#CC(F)(F)F)c(F)cc3c2)CO1.
What is the InChIKey of 2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane?
The InChIKey is KMQQULWSIWBTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6O/c1-10-2-3-11(9-26-10)12-6-13-8-15(20)14(4-5-19(23,24)25)18(22)17(13)16(21)7-12/h6-8,10-11H,2-3,9H2,1H3.
What are the key properties of 2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane?
2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane has a molecular weight of 372.31 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4,5,7-trifluoro-6-(3,3,3-trifluoroprop-1-ynyl)naphthalen-2-yl]oxane is sourced from PubChem (CID 138468448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).