5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran

C14H13F3O — CID 101059907

IUPAC5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran
SMILESFC(F)(F)/C(=C/c1ccccc1)C1=COCCC1
InChIInChI=1S/C14H13F3O/c15-14(16,17)13(12-7-4-8-18-10-12)9-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2/b13-9+
InChIKeyLYFNNRGAQPBRGU-UKTHLTGXSA-N
MW254.25 g/mol
LogP4.33
Rot. Bonds2

About 5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran

5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran (PubChem CID 101059907) has the molecular formula C14H13F3O and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran
PubChem CID101059907
Molecular FormulaC14H13F3O
Molecular Weight254.25 g/mol
Exact Mass254.09
IUPAC Name5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran
SMILESFC(F)(F)/C(=C/c1ccccc1)C1=COCCC1
InChIInChI=1S/C14H13F3O/c15-14(16,17)13(12-7-4-8-18-10-12)9-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2/b13-9+
InChIKeyLYFNNRGAQPBRGU-UKTHLTGXSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran?
The IUPAC name of 5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran (CID 101059907) is 5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran.
What is the SMILES notation for 5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran?
The canonical SMILES for 5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran is FC(F)(F)/C(=C/c1ccccc1)C1=COCCC1.
What is the InChIKey of 5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran?
The InChIKey is LYFNNRGAQPBRGU-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H13F3O/c15-14(16,17)13(12-7-4-8-18-10-12)9-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2/b13-9+.
What are the key properties of 5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran?
5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran has a molecular weight of 254.25 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]-3,4-dihydro-2H-pyran is sourced from PubChem (CID 101059907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).