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

C8H8F6O — CID 14898814

IUPAC4-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran
SMILESCC1=CCOC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C8H8F6O/c1-5-2-3-15-6(4-5,7(9,10)11)8(12,13)14/h2H,3-4H2,1H3
InChIKeyKWHFXSBQVDQEQS-UHFFFAOYSA-N
MW234.14 g/mol
LogP3.22
Rot. Bonds

About 4-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran

4-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran (PubChem CID 14898814) has the molecular formula C8H8F6O and a molecular weight of 234.14 g/mol. Its IUPAC name is 4-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran.

Molecular Properties

Compound Name4-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran
PubChem CID14898814
Molecular FormulaC8H8F6O
Molecular Weight234.14 g/mol
Exact Mass234.05
IUPAC Name4-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran
SMILESCC1=CCOC(C(F)(F)F)(C(F)(F)F)C1
InChIInChI=1S/C8H8F6O/c1-5-2-3-15-6(4-5,7(9,10)11)8(12,13)14/h2H,3-4H2,1H3
InChIKeyKWHFXSBQVDQEQS-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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 4-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran?
The IUPAC name of 4-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran (CID 14898814) is 4-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran.
What is the SMILES notation for 4-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran?
The canonical SMILES for 4-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran is CC1=CCOC(C(F)(F)F)(C(F)(F)F)C1.
What is the InChIKey of 4-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran?
The InChIKey is KWHFXSBQVDQEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F6O/c1-5-2-3-15-6(4-5,7(9,10)11)8(12,13)14/h2H,3-4H2,1H3.
What are the key properties of 4-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran?
4-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran has a molecular weight of 234.14 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran is sourced from PubChem (CID 14898814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).