2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran

C12H11F3O — CID 126591233

IUPAC2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran
SMILESC=CC1=C(/C=C\C)C=C(C(F)(F)F)C(=C)O1
InChIInChI=1S/C12H11F3O/c1-4-6-9-7-10(12(13,14)15)8(3)16-11(9)5-2/h4-7H,2-3H2,1H3/b6-4-
InChIKeyRYZXVPAPVFLPIW-XQRVVYSFSA-N
MW228.21 g/mol
LogP4.04
Rot. Bonds2

About 2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran

2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran (PubChem CID 126591233) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is 2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran.

Molecular Properties

Compound Name2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran
PubChem CID126591233
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran
SMILESC=CC1=C(/C=C\C)C=C(C(F)(F)F)C(=C)O1
InChIInChI=1S/C12H11F3O/c1-4-6-9-7-10(12(13,14)15)8(3)16-11(9)5-2/h4-7H,2-3H2,1H3/b6-4-
InChIKeyRYZXVPAPVFLPIW-XQRVVYSFSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran?
The IUPAC name of 2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran (CID 126591233) is 2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran.
What is the SMILES notation for 2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran?
The canonical SMILES for 2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran is C=CC1=C(/C=C\C)C=C(C(F)(F)F)C(=C)O1.
What is the InChIKey of 2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran?
The InChIKey is RYZXVPAPVFLPIW-XQRVVYSFSA-N. The full InChI is InChI=1S/C12H11F3O/c1-4-6-9-7-10(12(13,14)15)8(3)16-11(9)5-2/h4-7H,2-3H2,1H3/b6-4-.
What are the key properties of 2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran?
2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran has a molecular weight of 228.21 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-6-methylidene-3-[(Z)-prop-1-enyl]-5-(trifluoromethyl)pyran is sourced from PubChem (CID 126591233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).