(2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol

C12H13F3O — CID 88932310

IUPAC(2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol
SMILESC/C=C\C=C(/C=C/C(F)(F)F)C(O)=C1CC1
InChIInChI=1S/C12H13F3O/c1-2-3-4-9(7-8-12(13,14)15)11(16)10-5-6-10/h2-4,7-8,16H,5-6H2,1H3/b3-2-,8-7+,9-4+
InChIKeyPHLBYHPSXXASCV-IKWCNARPSA-N
MW230.23 g/mol
LogP4.21
Rot. Bonds3

About (2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol

(2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol (PubChem CID 88932310) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is (2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol
PubChem CID88932310
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name(2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol
SMILESC/C=C\C=C(/C=C/C(F)(F)F)C(O)=C1CC1
InChIInChI=1S/C12H13F3O/c1-2-3-4-9(7-8-12(13,14)15)11(16)10-5-6-10/h2-4,7-8,16H,5-6H2,1H3/b3-2-,8-7+,9-4+
InChIKeyPHLBYHPSXXASCV-IKWCNARPSA-N
XLogP4.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol?
The IUPAC name of (2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol (CID 88932310) is (2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol.
What is the SMILES notation for (2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol?
The canonical SMILES for (2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol is C/C=C\C=C(/C=C/C(F)(F)F)C(O)=C1CC1.
What is the InChIKey of (2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol?
The InChIKey is PHLBYHPSXXASCV-IKWCNARPSA-N. The full InChI is InChI=1S/C12H13F3O/c1-2-3-4-9(7-8-12(13,14)15)11(16)10-5-6-10/h2-4,7-8,16H,5-6H2,1H3/b3-2-,8-7+,9-4+.
What are the key properties of (2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol?
(2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol has a molecular weight of 230.23 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-cyclopropylidene-2-[(E)-3,3,3-trifluoroprop-1-enyl]hexa-2,4-dien-1-ol is sourced from PubChem (CID 88932310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).