2,3-difluorooct-7-enoic acid

C8H12F2O2 — CID 87964505

IUPAC2,3-difluorooct-7-enoic acid
SMILESC=CCCCC(F)C(F)C(=O)O
InChIInChI=1S/C8H12F2O2/c1-2-3-4-5-6(9)7(10)8(11)12/h2,6-7H,1,3-5H2,(H,11,12)
InChIKeyFKDZPXFKAYDZLO-UHFFFAOYSA-N
MW178.18 g/mol
LogP2.10
Rot. Bonds6

About 2,3-difluorooct-7-enoic acid

2,3-difluorooct-7-enoic acid (PubChem CID 87964505) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 2,3-difluorooct-7-enoic acid.

Molecular Properties

Compound Name2,3-difluorooct-7-enoic acid
PubChem CID87964505
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name2,3-difluorooct-7-enoic acid
SMILESC=CCCCC(F)C(F)C(=O)O
InChIInChI=1S/C8H12F2O2/c1-2-3-4-5-6(9)7(10)8(11)12/h2,6-7H,1,3-5H2,(H,11,12)
InChIKeyFKDZPXFKAYDZLO-UHFFFAOYSA-N
XLogP2.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Undecylenic Acid
CID 5634
9-Decenoic acid
CID 61743
11-Dodecenoic acid
CID 125207
8-Nonenoic Acid
CID 35860
22-Tricosenoic Acid
CID 543855
7-Octenoic acid
CID 543977
14-Pentadecenoic acid
CID 543854
12-Tridecenoic acid
CID 5282737
17-Octadecenoic acid
CID 5312444
7-oxo-11-Dodecenoic acid
CID 4374065
Methylene hexadecanoic acid
CID 152958
16-fluoro-9Z-hexadecenoic acid
CID 56935805

Frequently Asked Questions

What is the IUPAC name of 2,3-difluorooct-7-enoic acid?
The IUPAC name of 2,3-difluorooct-7-enoic acid (CID 87964505) is 2,3-difluorooct-7-enoic acid.
What is the SMILES notation for 2,3-difluorooct-7-enoic acid?
The canonical SMILES for 2,3-difluorooct-7-enoic acid is C=CCCCC(F)C(F)C(=O)O.
What is the InChIKey of 2,3-difluorooct-7-enoic acid?
The InChIKey is FKDZPXFKAYDZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c1-2-3-4-5-6(9)7(10)8(11)12/h2,6-7H,1,3-5H2,(H,11,12).
What are the key properties of 2,3-difluorooct-7-enoic acid?
2,3-difluorooct-7-enoic acid has a molecular weight of 178.18 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluorooct-7-enoic acid is sourced from PubChem (CID 87964505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).