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

C18H15F3O — CID 46197274

IUPAC4-phenyl-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran
SMILESFC(F)(F)c1ccc(C2C=C(c3ccccc3)CCO2)cc1
InChIInChI=1S/C18H15F3O/c19-18(20,21)16-8-6-14(7-9-16)17-12-15(10-11-22-17)13-4-2-1-3-5-13/h1-9,12,17H,10-11H2
InChIKeySXDRXSCTNBJIKO-UHFFFAOYSA-N
MW304.31 g/mol
LogP5.25
Rot. Bonds2

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

4-phenyl-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran (PubChem CID 46197274) has the molecular formula C18H15F3O and a molecular weight of 304.31 g/mol. Its IUPAC name is 4-phenyl-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran.

Molecular Properties

Compound Name4-phenyl-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran
PubChem CID46197274
Molecular FormulaC18H15F3O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name4-phenyl-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran
SMILESFC(F)(F)c1ccc(C2C=C(c3ccccc3)CCO2)cc1
InChIInChI=1S/C18H15F3O/c19-18(20,21)16-8-6-14(7-9-16)17-12-15(10-11-22-17)13-4-2-1-3-5-13/h1-9,12,17H,10-11H2
InChIKeySXDRXSCTNBJIKO-UHFFFAOYSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.31
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran?
The IUPAC name of 4-phenyl-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran (CID 46197274) is 4-phenyl-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran.
What is the SMILES notation for 4-phenyl-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran?
The canonical SMILES for 4-phenyl-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran is FC(F)(F)c1ccc(C2C=C(c3ccccc3)CCO2)cc1.
What is the InChIKey of 4-phenyl-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran?
The InChIKey is SXDRXSCTNBJIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O/c19-18(20,21)16-8-6-14(7-9-16)17-12-15(10-11-22-17)13-4-2-1-3-5-13/h1-9,12,17H,10-11H2.
What are the key properties of 4-phenyl-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran?
4-phenyl-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran has a molecular weight of 304.31 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-6-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyran is sourced from PubChem (CID 46197274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).