(3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid

C9H10F2O2 — CID 166850718

IUPAC(3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid
SMILESC=C/C(=C\C(F)=C/CF)CC(=O)O
InChIInChI=1S/C9H10F2O2/c1-2-7(6-9(12)13)5-8(11)3-4-10/h2-3,5H,1,4,6H2,(H,12,13)/b7-5+,8-3+
InChIKeyZPZZJUVJEZMPTG-FAFCXXFBSA-N
MW188.17 g/mol
LogP2.40
Rot. Bonds5

About (3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid

(3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid (PubChem CID 166850718) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is (3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid.

Molecular Properties

Compound Name(3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid
PubChem CID166850718
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name(3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid
SMILESC=C/C(=C\C(F)=C/CF)CC(=O)O
InChIInChI=1S/C9H10F2O2/c1-2-7(6-9(12)13)5-8(11)3-4-10/h2-3,5H,1,4,6H2,(H,12,13)/b7-5+,8-3+
InChIKeyZPZZJUVJEZMPTG-FAFCXXFBSA-N
XLogP2.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

carbonic acid;1,1,3-trifluoroprop-1-ene
CID 135262117
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buta-1,3-diene;propanedioic acid
CID 122461573
hexakis(carbonofluoridic acid);prop-2-enoic acid
CID 175140796
ethenoxyethene;2-methylidenebutanedioic acid
CID 159680731
(4E)-5-chloro-3-methylidenehepta-4,6-dienoic acid
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calcium;propanedioic acid;dichloride
CID 172710665
ethene;propanedioic acid
CID 159912302
ethene;ethenoxyethene;2-methylidenebutanedioic acid
CID 173139326
3-bromo-7-fluoro-5-methylhepta-1,3,5-triene
CID 123150055
3-ethylidenehepta-4,6-dienoic acid
CID 90984138
(E,5Z)-3-ethenyl-5-ethylidene-4-fluorodec-3-enoic acid
CID 145057784

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid?
The IUPAC name of (3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid (CID 166850718) is (3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid.
What is the SMILES notation for (3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid?
The canonical SMILES for (3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid is C=C/C(=C\C(F)=C/CF)CC(=O)O.
What is the InChIKey of (3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid?
The InChIKey is ZPZZJUVJEZMPTG-FAFCXXFBSA-N. The full InChI is InChI=1S/C9H10F2O2/c1-2-7(6-9(12)13)5-8(11)3-4-10/h2-3,5H,1,4,6H2,(H,12,13)/b7-5+,8-3+.
What are the key properties of (3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid?
(3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid has a molecular weight of 188.17 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-3-ethenyl-5,7-difluorohepta-3,5-dienoic acid is sourced from PubChem (CID 166850718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).