(Z)-5-(difluoromethyl)-2-fluoro-6-[(3E)-4-fluoropenta-1,3-dien-2-yl]oxy-4-methylidenehept-5-en-3-ol

C14H18F4O2 — CID 122544412

IUPAC(Z)-5-(difluoromethyl)-2-fluoro-6-[(3E)-4-fluoropenta-1,3-dien-2-yl]oxy-4-methylidenehept-5-en-3-ol
SMILESC=C(/C=C(\C)F)O/C(C)=C(/C(=C)C(O)C(C)F)C(F)F
InChIInChI=1S/C14H18F4O2/c1-7(15)6-8(2)20-11(5)12(14(17)18)9(3)13(19)10(4)16/h6,10,13-14,19H,2-3H2,1,4-5H3/b7-6+,12-11-
InChIKeyOCYWRTGKCHJTGB-AOIKRWKVSA-N
MW294.29 g/mol
LogP4.20
Rot. Bonds7

About (Z)-5-(difluoromethyl)-2-fluoro-6-[(3E)-4-fluoropenta-1,3-dien-2-yl]oxy-4-methylidenehept-5-en-3-ol

(Z)-5-(difluoromethyl)-2-fluoro-6-[(3E)-4-fluoropenta-1,3-dien-2-yl]oxy-4-methylidenehept-5-en-3-ol (PubChem CID 122544412) has the molecular formula C14H18F4O2 and a molecular weight of 294.29 g/mol. Its IUPAC name is (Z)-5-(difluoromethyl)-2-fluoro-6-[(3E)-4-fluoropenta-1,3-dien-2-yl]oxy-4-methylidenehept-5-en-3-ol.

Molecular Properties

Compound Name(Z)-5-(difluoromethyl)-2-fluoro-6-[(3E)-4-fluoropenta-1,3-dien-2-yl]oxy-4-methylidenehept-5-en-3-ol
PubChem CID122544412
Molecular FormulaC14H18F4O2
Molecular Weight294.29 g/mol
Exact Mass294.12
IUPAC Name(Z)-5-(difluoromethyl)-2-fluoro-6-[(3E)-4-fluoropenta-1,3-dien-2-yl]oxy-4-methylidenehept-5-en-3-ol
SMILESC=C(/C=C(\C)F)O/C(C)=C(/C(=C)C(O)C(C)F)C(F)F
InChIInChI=1S/C14H18F4O2/c1-7(15)6-8(2)20-11(5)12(14(17)18)9(3)13(19)10(4)16/h6,10,13-14,19H,2-3H2,1,4-5H3/b7-6+,12-11-
InChIKeyOCYWRTGKCHJTGB-AOIKRWKVSA-N
XLogP4.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 54.20
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'}

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Related Compounds

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CID 68381664
(Z,2E)-5-(2,2-difluoropropoxy)-2-ethylidenehex-3-en-1-ol
CID 89416552
(E)-2-prop-1-en-2-yl-5-(2,2,2-trifluoroethoxy)hex-2-en-1-ol
CID 134592586
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CID 137397545
(5E,7Z,9E)-7,8-difluoro-9-[(5-methoxycyclohepta-1,4,6-trien-1-yl)methoxy]undeca-5,7,9-trien-1-ol
CID 137487712
(4E,6E)-7-chloro-1,1,1-trifluoro-3-methylidene-5-(trifluoromethoxy)octa-4,6-dien-2-ol
CID 166646988
4-[(2E)-2-ethyl-4-fluoropenta-2,4-dienoxy]pent-4-en-2-ol
CID 167103519
(4Z,6E)-1,1,1-trifluoro-3-methylidene-7-prop-2-enoxyocta-4,6-dien-2-ol
CID 167181091
(1Z,2E,4E)-4-methyl-1-[2-(trifluoromethyl)oxetan-3-ylidene]-2-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hepta-2,4-dien-1-ol
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4-(11-Hydroxyundecoxy)-6-methyl-2-(trifluoromethyl)cyclohexa-1,5-dien-1-ol
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Frequently Asked Questions

What is the IUPAC name of (Z)-5-(difluoromethyl)-2-fluoro-6-[(3E)-4-fluoropenta-1,3-dien-2-yl]oxy-4-methylidenehept-5-en-3-ol?
The IUPAC name of (Z)-5-(difluoromethyl)-2-fluoro-6-[(3E)-4-fluoropenta-1,3-dien-2-yl]oxy-4-methylidenehept-5-en-3-ol (CID 122544412) is (Z)-5-(difluoromethyl)-2-fluoro-6-[(3E)-4-fluoropenta-1,3-dien-2-yl]oxy-4-methylidenehept-5-en-3-ol.
What is the SMILES notation for (Z)-5-(difluoromethyl)-2-fluoro-6-[(3E)-4-fluoropenta-1,3-dien-2-yl]oxy-4-methylidenehept-5-en-3-ol?
The canonical SMILES for (Z)-5-(difluoromethyl)-2-fluoro-6-[(3E)-4-fluoropenta-1,3-dien-2-yl]oxy-4-methylidenehept-5-en-3-ol is C=C(/C=C(\C)F)O/C(C)=C(/C(=C)C(O)C(C)F)C(F)F.
What is the InChIKey of (Z)-5-(difluoromethyl)-2-fluoro-6-[(3E)-4-fluoropenta-1,3-dien-2-yl]oxy-4-methylidenehept-5-en-3-ol?
The InChIKey is OCYWRTGKCHJTGB-AOIKRWKVSA-N. The full InChI is InChI=1S/C14H18F4O2/c1-7(15)6-8(2)20-11(5)12(14(17)18)9(3)13(19)10(4)16/h6,10,13-14,19H,2-3H2,1,4-5H3/b7-6+,12-11-.
What are the key properties of (Z)-5-(difluoromethyl)-2-fluoro-6-[(3E)-4-fluoropenta-1,3-dien-2-yl]oxy-4-methylidenehept-5-en-3-ol?
(Z)-5-(difluoromethyl)-2-fluoro-6-[(3E)-4-fluoropenta-1,3-dien-2-yl]oxy-4-methylidenehept-5-en-3-ol has a molecular weight of 294.29 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-(difluoromethyl)-2-fluoro-6-[(3E)-4-fluoropenta-1,3-dien-2-yl]oxy-4-methylidenehept-5-en-3-ol is sourced from PubChem (CID 122544412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).