7,8,8-trifluorooct-7-enoic acid

C8H11F3O2 — CID 15239188

IUPAC7,8,8-trifluorooct-7-enoic acid
SMILESO=C(O)CCCCCC(F)=C(F)F
InChIInChI=1S/C8H11F3O2/c9-6(8(10)11)4-2-1-3-5-7(12)13/h1-5H2,(H,12,13)
InChIKeyCSPLULUESKWRAS-UHFFFAOYSA-N
MW196.17 g/mol
LogP3.10
Rot. Bonds6

About 7,8,8-trifluorooct-7-enoic acid

7,8,8-trifluorooct-7-enoic acid (PubChem CID 15239188) has the molecular formula C8H11F3O2 and a molecular weight of 196.17 g/mol. Its IUPAC name is 7,8,8-trifluorooct-7-enoic acid.

Molecular Properties

Compound Name7,8,8-trifluorooct-7-enoic acid
PubChem CID15239188
Molecular FormulaC8H11F3O2
Molecular Weight196.17 g/mol
Exact Mass196.07
IUPAC Name7,8,8-trifluorooct-7-enoic acid
SMILESO=C(O)CCCCCC(F)=C(F)F
InChIInChI=1S/C8H11F3O2/c9-6(8(10)11)4-2-1-3-5-7(12)13/h1-5H2,(H,12,13)
InChIKeyCSPLULUESKWRAS-UHFFFAOYSA-N
XLogP3.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

9,9,9-Trifluorononanoic acid
CID 88612342
10-Fluoroundec-10-enoic acid
CID 10726803
2-(Difluoromethylidene)heptanoic acid
CID 10845039
12,12-Difluoro-11-dodecenoic acid
CID 11322259
8,8-Difluorooct-7-enoic acid
CID 19430082
10,10-Difluorodec-9-enoic acid
CID 19430083
7,7,8,9,10,10-Hexafluorodec-9-enoic acid
CID 20527954
2-(Difluoromethylidene)-3,3-difluoroheptanoic acid
CID 21917646
7,7,7-Trifluoroheptanoic acid
CID 23191561
8,8,9,10,11,11-Hexafluoroundec-9-enoic acid
CID 53655751
8,8,8-Trifluorooctanoic acid
CID 54173445
7,7,8,9,10,10-Hexafluorodec-8-enoic acid
CID 54450106

Frequently Asked Questions

What is the IUPAC name of 7,8,8-trifluorooct-7-enoic acid?
The IUPAC name of 7,8,8-trifluorooct-7-enoic acid (CID 15239188) is 7,8,8-trifluorooct-7-enoic acid.
What is the SMILES notation for 7,8,8-trifluorooct-7-enoic acid?
The canonical SMILES for 7,8,8-trifluorooct-7-enoic acid is O=C(O)CCCCCC(F)=C(F)F.
What is the InChIKey of 7,8,8-trifluorooct-7-enoic acid?
The InChIKey is CSPLULUESKWRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3O2/c9-6(8(10)11)4-2-1-3-5-7(12)13/h1-5H2,(H,12,13).
What are the key properties of 7,8,8-trifluorooct-7-enoic acid?
7,8,8-trifluorooct-7-enoic acid has a molecular weight of 196.17 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,8-trifluorooct-7-enoic acid is sourced from PubChem (CID 15239188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).