2-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran

C8H8F6O — CID 14898815

IUPAC2-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran
SMILESCC1C=CCC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C8H8F6O/c1-5-3-2-4-6(15-5,7(9,10)11)8(12,13)14/h2-3,5H,4H2,1H3
InChIKeyYVXATHGJBLWUNV-UHFFFAOYSA-N
MW234.14 g/mol
LogP3.21
Rot. Bonds

About 2-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran

2-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran (PubChem CID 14898815) has the molecular formula C8H8F6O and a molecular weight of 234.14 g/mol. Its IUPAC name is 2-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran.

Molecular Properties

Compound Name2-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran
PubChem CID14898815
Molecular FormulaC8H8F6O
Molecular Weight234.14 g/mol
Exact Mass234.05
IUPAC Name2-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran
SMILESCC1C=CCC(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C8H8F6O/c1-5-3-2-4-6(15-5,7(9,10)11)8(12,13)14/h2-3,5H,4H2,1H3
InChIKeyYVXATHGJBLWUNV-UHFFFAOYSA-N
XLogP3.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran?
The IUPAC name of 2-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran (CID 14898815) is 2-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran.
What is the SMILES notation for 2-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran?
The canonical SMILES for 2-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran is CC1C=CCC(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of 2-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran?
The InChIKey is YVXATHGJBLWUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O/c1-5-3-2-4-6(15-5,7(9,10)11)8(12,13)14/h2-3,5H,4H2,1H3.
What are the key properties of 2-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran?
2-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran has a molecular weight of 234.14 g/mol, XLogP of 3.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran is sourced from PubChem (CID 14898815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).