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

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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).