4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran

C14H15F3O — CID 102347264

IUPAC4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran
SMILESCC1=C(C)CC(c2ccc(C(F)(F)F)cc2)OC1
InChIInChI=1S/C14H15F3O/c1-9-7-13(18-8-10(9)2)11-3-5-12(6-4-11)14(15,16)17/h3-6,13H,7-8H2,1-2H3
InChIKeyAFNFFYBZTSRXKE-UHFFFAOYSA-N
MW256.27 g/mol
LogP4.50
Rot. Bonds1

About 4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran

4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran (PubChem CID 102347264) has the molecular formula C14H15F3O and a molecular weight of 256.27 g/mol. Its IUPAC name is 4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran
PubChem CID102347264
Molecular FormulaC14H15F3O
Molecular Weight256.27 g/mol
Exact Mass256.11
IUPAC Name4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran
SMILESCC1=C(C)CC(c2ccc(C(F)(F)F)cc2)OC1
InChIInChI=1S/C14H15F3O/c1-9-7-13(18-8-10(9)2)11-3-5-12(6-4-11)14(15,16)17/h3-6,13H,7-8H2,1-2H3
InChIKeyAFNFFYBZTSRXKE-UHFFFAOYSA-N
XLogP4.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 54.50
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

Styrene Oxide
CID 7276
(S)-styrene oxide
CID 114946
Benzyl ethyl ether
CID 10873
(+)-Styrene oxide
CID 114705
Benzyl octyl ether
CID 347508
1,4-Bis(Methoxymethyl)Benzene
CID 81239
Bis(1-phenylethyl) ether
CID 62342
2-(3-Methylphenyl)oxirane
CID 152312
Benzene, (1-ethoxyethyl)-
CID 18693
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
2H-Pyran, tetrahydro-4-methylene-2-phenyl-
CID 108444
2H-Pyran, tetrahydro-4-methyl-2-phenyl-, (2R,4S)-rel-
CID 15640305

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran?
The IUPAC name of 4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran (CID 102347264) is 4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran?
The canonical SMILES for 4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran is CC1=C(C)CC(c2ccc(C(F)(F)F)cc2)OC1.
What is the InChIKey of 4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran?
The InChIKey is AFNFFYBZTSRXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3O/c1-9-7-13(18-8-10(9)2)11-3-5-12(6-4-11)14(15,16)17/h3-6,13H,7-8H2,1-2H3.
What are the key properties of 4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran?
4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran has a molecular weight of 256.27 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 102347264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).