5,6-dimethyl-4,4-bis(trifluoromethyl)-2,3-dihydropyran

C9H10F6O — CID 162562247

IUPAC5,6-dimethyl-4,4-bis(trifluoromethyl)-2,3-dihydropyran
SMILESCC1=C(C)C(C(F)(F)F)(C(F)(F)F)CCO1
InChIInChI=1S/C9H10F6O/c1-5-6(2)16-4-3-7(5,8(10,11)12)9(13,14)15/h3-4H2,1-2H3
InChIKeyNDTPUFREDBZSIC-UHFFFAOYSA-N
MW248.17 g/mol
LogP3.81
Rot. Bonds

About 5,6-dimethyl-4,4-bis(trifluoromethyl)-2,3-dihydropyran

5,6-dimethyl-4,4-bis(trifluoromethyl)-2,3-dihydropyran (PubChem CID 162562247) has the molecular formula C9H10F6O and a molecular weight of 248.17 g/mol. Its IUPAC name is 5,6-dimethyl-4,4-bis(trifluoromethyl)-2,3-dihydropyran.

Molecular Properties

Compound Name5,6-dimethyl-4,4-bis(trifluoromethyl)-2,3-dihydropyran
PubChem CID162562247
Molecular FormulaC9H10F6O
Molecular Weight248.17 g/mol
Exact Mass248.06
IUPAC Name5,6-dimethyl-4,4-bis(trifluoromethyl)-2,3-dihydropyran
SMILESCC1=C(C)C(C(F)(F)F)(C(F)(F)F)CCO1
InChIInChI=1S/C9H10F6O/c1-5-6(2)16-4-3-7(5,8(10,11)12)9(13,14)15/h3-4H2,1-2H3
InChIKeyNDTPUFREDBZSIC-UHFFFAOYSA-N
XLogP3.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4,4-bis(trifluoromethyl)-2,3-dihydropyran?
The IUPAC name of 5,6-dimethyl-4,4-bis(trifluoromethyl)-2,3-dihydropyran (CID 162562247) is 5,6-dimethyl-4,4-bis(trifluoromethyl)-2,3-dihydropyran.
What is the SMILES notation for 5,6-dimethyl-4,4-bis(trifluoromethyl)-2,3-dihydropyran?
The canonical SMILES for 5,6-dimethyl-4,4-bis(trifluoromethyl)-2,3-dihydropyran is CC1=C(C)C(C(F)(F)F)(C(F)(F)F)CCO1.
What is the InChIKey of 5,6-dimethyl-4,4-bis(trifluoromethyl)-2,3-dihydropyran?
The InChIKey is NDTPUFREDBZSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6O/c1-5-6(2)16-4-3-7(5,8(10,11)12)9(13,14)15/h3-4H2,1-2H3.
What are the key properties of 5,6-dimethyl-4,4-bis(trifluoromethyl)-2,3-dihydropyran?
5,6-dimethyl-4,4-bis(trifluoromethyl)-2,3-dihydropyran has a molecular weight of 248.17 g/mol, XLogP of 3.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4,4-bis(trifluoromethyl)-2,3-dihydropyran is sourced from PubChem (CID 162562247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).