8,8-difluoro-7-methyloct-7-enoic acid

C9H14F2O2 — CID 56979104

IUPAC8,8-difluoro-7-methyloct-7-enoic acid
SMILESCC(CCCCCC(=O)O)=C(F)F
InChIInChI=1S/C9H14F2O2/c1-7(9(10)11)5-3-2-4-6-8(12)13/h2-6H2,1H3,(H,12,13)
InChIKeyJXFHRNUKBVLXGR-UHFFFAOYSA-N
MW192.20 g/mol
LogP3.19
Rot. Bonds6

About 8,8-difluoro-7-methyloct-7-enoic acid

8,8-difluoro-7-methyloct-7-enoic acid (PubChem CID 56979104) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is 8,8-difluoro-7-methyloct-7-enoic acid.

Molecular Properties

Compound Name8,8-difluoro-7-methyloct-7-enoic acid
PubChem CID56979104
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name8,8-difluoro-7-methyloct-7-enoic acid
SMILESCC(CCCCCC(=O)O)=C(F)F
InChIInChI=1S/C9H14F2O2/c1-7(9(10)11)5-3-2-4-6-8(12)13/h2-6H2,1H3,(H,12,13)
InChIKeyJXFHRNUKBVLXGR-UHFFFAOYSA-N
XLogP3.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 53.19
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

6,6-Difluoro-5-methylhex-5-enoic acid
CID 57048281
4-Propyl-4-pentenoic acid
CID 151815
Pitinoic acid A
CID 72164849
5-Methylene-tetradecanoic acid
CID 24975318
10-Carbonyl stearic acid
CID 129855655
2-(Difluoromethylidene)heptanoic acid
CID 10845039
12,12-Difluoro-11-dodecenoic acid
CID 11322259
7,8,8-Trifluoro-7-octenoic acid
CID 15239188
2-(Difluoromethylidene)-3,3,4,4,5,5-hexafluoroheptanoic acid
CID 17943236
2-(Difluoromethylidene)-3,3,4,4,5,5-hexafluorooctanoic acid
CID 18369740
2-(Difluoromethylidene)-3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluoroundecanoic acid
CID 18407409
2-(Difluoromethylidene)-3,3,4,4,5,5,6,6,7,7,8,8,9-tridecafluorodecanoic acid
CID 18667917

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-7-methyloct-7-enoic acid?
The IUPAC name of 8,8-difluoro-7-methyloct-7-enoic acid (CID 56979104) is 8,8-difluoro-7-methyloct-7-enoic acid.
What is the SMILES notation for 8,8-difluoro-7-methyloct-7-enoic acid?
The canonical SMILES for 8,8-difluoro-7-methyloct-7-enoic acid is CC(CCCCCC(=O)O)=C(F)F.
What is the InChIKey of 8,8-difluoro-7-methyloct-7-enoic acid?
The InChIKey is JXFHRNUKBVLXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O2/c1-7(9(10)11)5-3-2-4-6-8(12)13/h2-6H2,1H3,(H,12,13).
What are the key properties of 8,8-difluoro-7-methyloct-7-enoic acid?
8,8-difluoro-7-methyloct-7-enoic acid has a molecular weight of 192.20 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-7-methyloct-7-enoic acid is sourced from PubChem (CID 56979104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).