4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran

C7H9F3O — CID 10942803

IUPAC4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran
SMILESCC1=CCOC(C(F)(F)F)C1
InChIInChI=1S/C7H9F3O/c1-5-2-3-11-6(4-5)7(8,9)10/h2,6H,3-4H2,1H3
InChIKeyHUVOOILBCKJXBU-UHFFFAOYSA-N
MW166.14 g/mol
LogP2.28
Rot. Bonds

About 4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran

4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran (PubChem CID 10942803) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is 4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran
PubChem CID10942803
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran
SMILESCC1=CCOC(C(F)(F)F)C1
InChIInChI=1S/C7H9F3O/c1-5-2-3-11-6(4-5)7(8,9)10/h2,6H,3-4H2,1H3
InChIKeyHUVOOILBCKJXBU-UHFFFAOYSA-N
XLogP2.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(+-)-Nerol oxide
CID 61275
(2S)-4-methyl-2-(2-methylprop-1-enyl)-3,6-dihydro-2H-pyran
CID 11062576
2-Ethyl-4-methyl-3,6-dihydropyran
CID 12347116
2,4,6-Trimethyl-5,6-dihydropyran
CID 12381647
6H-Pyrane, 2,3-dihydro-2,4-dimethyl
CID 524214
(5R,6S)-5,6-diethoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
CID 134888606
4-Methyl-2-propyl-5,6-dihydro-2h-pyran
CID 12283591
4,6-Dimethyl-3,6-dihydro-2H-pyran
CID 12338288
(2S)-2,4-dimethyl-3,6-dihydro-2H-pyran
CID 58886822
4-Methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran
CID 14898814
(1E)-1-ethylidene-2-(2,2,2-trifluoroethoxy)cyclopentane
CID 131863587
2-Methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88986472

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran (CID 10942803) is 4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran is CC1=CCOC(C(F)(F)F)C1.
What is the InChIKey of 4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran?
The InChIKey is HUVOOILBCKJXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c1-5-2-3-11-6(4-5)7(8,9)10/h2,6H,3-4H2,1H3.
What are the key properties of 4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran?
4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran has a molecular weight of 166.14 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 10942803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).