6-fluorooct-2-enoic acid

C8H13FO2 — CID 175570193

IUPAC6-fluorooct-2-enoic acid
SMILESCCC(F)CCC=CC(=O)O
InChIInChI=1S/C8H13FO2/c1-2-7(9)5-3-4-6-8(10)11/h4,6-7H,2-3,5H2,1H3,(H,10,11)
InChIKeyHHHIJKWMTFPXSF-UHFFFAOYSA-N
MW160.19 g/mol
LogP2.16
Rot. Bonds5

About 6-fluorooct-2-enoic acid

6-fluorooct-2-enoic acid (PubChem CID 175570193) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 6-fluorooct-2-enoic acid.

Molecular Properties

Compound Name6-fluorooct-2-enoic acid
PubChem CID175570193
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name6-fluorooct-2-enoic acid
SMILESCCC(F)CCC=CC(=O)O
InChIInChI=1S/C8H13FO2/c1-2-7(9)5-3-4-6-8(10)11/h4,6-7H,2-3,5H2,1H3,(H,10,11)
InChIKeyHHHIJKWMTFPXSF-UHFFFAOYSA-N
XLogP2.16
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-6-chlorooct-2-enoic acid
CID 101279339
(E)-hex-2-enoic acid
CID 5282707
docosakis(hex-2-enoic acid);phosphane
CID 174896095
CID 158204021
CID 158204021
(Z)-oct-2-enoic acid
CID 5282713
8-methyldeca-2,4-dienoic acid
CID 154133307
(E)-pent-2-enoic acid
CID 638122
iron;(E)-oct-2-enoic acid
CID 89456364
undec-2-enoic acid
CID 519180
zinc;hept-2-enoic acid;oxygen(2-)
CID 160568459
(E)-oct-2-enoic acid;zirconium
CID 89456417
undeca-2,8-dienoic acid
CID 86068100

Frequently Asked Questions

What is the IUPAC name of 6-fluorooct-2-enoic acid?
The IUPAC name of 6-fluorooct-2-enoic acid (CID 175570193) is 6-fluorooct-2-enoic acid.
What is the SMILES notation for 6-fluorooct-2-enoic acid?
The canonical SMILES for 6-fluorooct-2-enoic acid is CCC(F)CCC=CC(=O)O.
What is the InChIKey of 6-fluorooct-2-enoic acid?
The InChIKey is HHHIJKWMTFPXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-2-7(9)5-3-4-6-8(10)11/h4,6-7H,2-3,5H2,1H3,(H,10,11).
What are the key properties of 6-fluorooct-2-enoic acid?
6-fluorooct-2-enoic acid has a molecular weight of 160.19 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorooct-2-enoic acid is sourced from PubChem (CID 175570193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).