(2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol

C16H22F2O2 — CID 144515913

IUPAC(2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol
SMILESC/C=C\C(=C/C(C)F)O/C(C)=C/C=C(\C=C(/C)F)CO
InChIInChI=1S/C16H22F2O2/c1-5-6-16(10-13(3)18)20-14(4)7-8-15(11-19)9-12(2)17/h5-10,13,19H,11H2,1-4H3/b6-5-,12-9+,14-7+,15-8+,16-10+
InChIKeyYHQAMOMVVQCSKL-NOFCIJOPSA-N
MW284.35 g/mol
LogP4.52
Rot. Bonds7

About (2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol

(2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol (PubChem CID 144515913) has the molecular formula C16H22F2O2 and a molecular weight of 284.35 g/mol. Its IUPAC name is (2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol
PubChem CID144515913
Molecular FormulaC16H22F2O2
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name(2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol
SMILESC/C=C\C(=C/C(C)F)O/C(C)=C/C=C(\C=C(/C)F)CO
InChIInChI=1S/C16H22F2O2/c1-5-6-16(10-13(3)18)20-14(4)7-8-15(11-19)9-12(2)17/h5-10,13,19H,11H2,1-4H3/b6-5-,12-9+,14-7+,15-8+,16-10+
InChIKeyYHQAMOMVVQCSKL-NOFCIJOPSA-N
XLogP4.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol with MolForge

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Launch Full Analysis

Related Compounds

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6-(2-Fluoro-2-methylbutoxy)-3-methylocta-3,5,7-trien-2-ol
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(5E,7Z,9E)-7,8-difluoro-9-[(5-methoxycyclohepta-1,4,6-trien-1-yl)methoxy]undeca-5,7,9-trien-1-ol
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(2,7-Difluoro-4,6-dimethoxycyclohepta-1,4,6-trien-1-yl)methanol
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(3Z,7Z)-9-ethoxy-3,7,8-trifluoro-5,6-dimethylidenedeca-1,3,7,9-tetraen-4-ol
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(3Z,7Z,11E,14E)-3,4,12-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene
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(4E,7E,11Z,15Z)-8,15,16-trifluoro-5-methyl-6,9,10,13,14-pentamethylidene-17-pent-4-enoxyoctadeca-4,7,11,15,17-pentaen-2-ol
CID 143772461
(3Z,7Z,11E,14E)-3,4,11-trifluoro-14-methyl-5,6,9,10,13-pentamethylidene-2-[(Z)-prop-1-enoxy]-17-propoxyoctadeca-1,3,7,11,14-pentaene
CID 143772466

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol?
The IUPAC name of (2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol (CID 144515913) is (2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol.
What is the SMILES notation for (2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol?
The canonical SMILES for (2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol is C/C=C\C(=C/C(C)F)O/C(C)=C/C=C(\C=C(/C)F)CO.
What is the InChIKey of (2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol?
The InChIKey is YHQAMOMVVQCSKL-NOFCIJOPSA-N. The full InChI is InChI=1S/C16H22F2O2/c1-5-6-16(10-13(3)18)20-14(4)7-8-15(11-19)9-12(2)17/h5-10,13,19H,11H2,1-4H3/b6-5-,12-9+,14-7+,15-8+,16-10+.
What are the key properties of (2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol?
(2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol has a molecular weight of 284.35 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-[(2Z,4E)-6-fluorohepta-2,4-dien-4-yl]oxy-2-[(E)-2-fluoroprop-1-enyl]hexa-2,4-dien-1-ol is sourced from PubChem (CID 144515913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).