2-methyl-2,4,6-tris(trifluoromethyl)pyran

C9H5F9O — CID 3013867

IUPAC2-methyl-2,4,6-tris(trifluoromethyl)pyran
SMILESCC1(C(F)(F)F)C=C(C(F)(F)F)C=C(C(F)(F)F)O1
InChIInChI=1S/C9H5F9O/c1-6(9(16,17)18)3-4(7(10,11)12)2-5(19-6)8(13,14)15/h2-3H,1H3
InChIKeyAWCLMRSGMJWGGT-UHFFFAOYSA-N
MW300.12 g/mol
LogP4.27
Rot. Bonds

About 2-methyl-2,4,6-tris(trifluoromethyl)pyran

2-methyl-2,4,6-tris(trifluoromethyl)pyran (PubChem CID 3013867) has the molecular formula C9H5F9O and a molecular weight of 300.12 g/mol. Its IUPAC name is 2-methyl-2,4,6-tris(trifluoromethyl)pyran.

Molecular Properties

Compound Name2-methyl-2,4,6-tris(trifluoromethyl)pyran
PubChem CID3013867
Molecular FormulaC9H5F9O
Molecular Weight300.12 g/mol
Exact Mass300.02
IUPAC Name2-methyl-2,4,6-tris(trifluoromethyl)pyran
SMILESCC1(C(F)(F)F)C=C(C(F)(F)F)C=C(C(F)(F)F)O1
InChIInChI=1S/C9H5F9O/c1-6(9(16,17)18)3-4(7(10,11)12)2-5(19-6)8(13,14)15/h2-3H,1H3
InChIKeyAWCLMRSGMJWGGT-UHFFFAOYSA-N
XLogP4.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-methyl-2,4,6-tris(trifluoromethyl)pyran 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

2,2,4,6-Tetramethyl-2H-pyran
CID 12240309
Lithium 1-methoxy-3,5-bis(trifluoromethyl)benzene-6-ide
CID 135082765
1-Methyl-3-(trifluoromethoxy)cyclohexa-1,3-diene
CID 17952051
1-Methyl-4-(trifluoromethoxy)benzene-3,5-diide;undecakis(yttrium)
CID 20579981
Lithium 1-methoxy-4-(trifluoromethyl)benzene-5-ide
CID 57533427
6-Fluoro-2-(1,1,2,2-tetrafluoroethoxy)cyclohexa-1,3-diene
CID 58898152
1-Fluoro-3,4-dimethyl-2-(trifluoromethoxy)benzene-5-ide;yttrium
CID 59067432
Carbanide;1,3-dimethyl-5-(trifluoromethoxy)benzene-6-ide;tungsten(2+)
CID 59592186
Carbanide;2-fluoro-1,5-dimethyl-3-(trifluoromethoxy)benzene-4-ide;tungsten(2+)
CID 59592243
Carbanide;1,5-dimethyl-2,3-bis(trifluoromethoxy)benzene-4-ide;tungsten(2+)
CID 59592265
Carbanide;2,4-dimethyl-1-(trifluoromethoxy)benzene-5-ide;tungsten(2+)
CID 59592335
Carbanide;1-fluoro-3,5-dimethyl-2-(trifluoromethoxy)benzene-6-ide;tungsten(2+)
CID 59592343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,4,6-tris(trifluoromethyl)pyran?
The IUPAC name of 2-methyl-2,4,6-tris(trifluoromethyl)pyran (CID 3013867) is 2-methyl-2,4,6-tris(trifluoromethyl)pyran.
What is the SMILES notation for 2-methyl-2,4,6-tris(trifluoromethyl)pyran?
The canonical SMILES for 2-methyl-2,4,6-tris(trifluoromethyl)pyran is CC1(C(F)(F)F)C=C(C(F)(F)F)C=C(C(F)(F)F)O1.
What is the InChIKey of 2-methyl-2,4,6-tris(trifluoromethyl)pyran?
The InChIKey is AWCLMRSGMJWGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F9O/c1-6(9(16,17)18)3-4(7(10,11)12)2-5(19-6)8(13,14)15/h2-3H,1H3.
What are the key properties of 2-methyl-2,4,6-tris(trifluoromethyl)pyran?
2-methyl-2,4,6-tris(trifluoromethyl)pyran has a molecular weight of 300.12 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,4,6-tris(trifluoromethyl)pyran is sourced from PubChem (CID 3013867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).