4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran

C9H13F3O — CID 67968794

IUPAC4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran
SMILESCC1=C(C)C(C)(C(F)(F)F)CCO1
InChIInChI=1S/C9H13F3O/c1-6-7(2)13-5-4-8(6,3)9(10,11)12/h4-5H2,1-3H3
InChIKeySBNHXEHEVBMZRA-UHFFFAOYSA-N
MW194.20 g/mol
LogP3.27
Rot. Bonds

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

4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran (PubChem CID 67968794) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is 4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran.

Molecular Properties

Compound Name4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran
PubChem CID67968794
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran
SMILESCC1=C(C)C(C)(C(F)(F)F)CCO1
InChIInChI=1S/C9H13F3O/c1-6-7(2)13-5-4-8(6,3)9(10,11)12/h4-5H2,1-3H3
InChIKeySBNHXEHEVBMZRA-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran?
The IUPAC name of 4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran (CID 67968794) is 4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran.
What is the SMILES notation for 4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran?
The canonical SMILES for 4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran is CC1=C(C)C(C)(C(F)(F)F)CCO1.
What is the InChIKey of 4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran?
The InChIKey is SBNHXEHEVBMZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O/c1-6-7(2)13-5-4-8(6,3)9(10,11)12/h4-5H2,1-3H3.
What are the key properties of 4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran?
4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran has a molecular weight of 194.20 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran is sourced from PubChem (CID 67968794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).