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

C7H9F3O — CID 167064335

IUPAC5-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran
SMILESCC1=CCC(C(F)(F)F)OC1
InChIInChI=1S/C7H9F3O/c1-5-2-3-6(11-4-5)7(8,9)10/h2,6H,3-4H2,1H3
InChIKeyXGPNXOKKEZCXDB-UHFFFAOYSA-N
MW166.14 g/mol
LogP2.28
Rot. Bonds

About 5-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran

5-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran (PubChem CID 167064335) has the molecular formula C7H9F3O and a molecular weight of 166.14 g/mol. Its IUPAC name is 5-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name5-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran
PubChem CID167064335
Molecular FormulaC7H9F3O
Molecular Weight166.14 g/mol
Exact Mass166.06
IUPAC Name5-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran
SMILESCC1=CCC(C(F)(F)F)OC1
InChIInChI=1S/C7H9F3O/c1-5-2-3-6(11-4-5)7(8,9)10/h2,6H,3-4H2,1H3
InChIKeyXGPNXOKKEZCXDB-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

2-(Trifluoromethyl)-3,6-dihydro-2H-pyran
CID 57069777
4,6-Dimethyl-3,6-dihydro-2H-pyran
CID 12338288
6H-Pyrane, 2,3-dihydro-2,4-dimethyl
CID 524214
(2S)-2,4-dimethyl-3,6-dihydro-2H-pyran
CID 58886822
2-Methyl-6,6-bis(trifluoromethyl)-2,5-dihydropyran
CID 14898815
2-Methyl-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene
CID 20679312
5-Methyl-2-(2,2,2-trifluoro-1-methoxyethyl)cyclohexa-1,3-diene
CID 68215925
2-Propan-2-yl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 70831056
6-Fluoro-2-methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88986443
2-Methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 88986472
2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran
CID 89306006
5-(Difluoromethoxy)-1-methylcyclohexa-1,3-diene
CID 89337031

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran?
The IUPAC name of 5-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran (CID 167064335) is 5-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran.
What is the SMILES notation for 5-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran?
The canonical SMILES for 5-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran is CC1=CCC(C(F)(F)F)OC1.
What is the InChIKey of 5-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran?
The InChIKey is XGPNXOKKEZCXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O/c1-5-2-3-6(11-4-5)7(8,9)10/h2,6H,3-4H2,1H3.
What are the key properties of 5-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran?
5-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 5-methyl-2-(trifluoromethyl)-3,6-dihydro-2H-pyran is sourced from PubChem (CID 167064335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).