5,5,6,6-tetrafluoro-2-methylidenehexanoic acid

C7H8F4O2 — CID 18638019

IUPAC5,5,6,6-tetrafluoro-2-methylidenehexanoic acid
SMILESC=C(CCC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C7H8F4O2/c1-4(5(12)13)2-3-7(10,11)6(8)9/h6H,1-3H2,(H,12,13)
InChIKeyDIOBVBACSGKQKG-UHFFFAOYSA-N
MW200.13 g/mol
LogP2.31
Rot. Bonds5

About 5,5,6,6-tetrafluoro-2-methylidenehexanoic acid

5,5,6,6-tetrafluoro-2-methylidenehexanoic acid (PubChem CID 18638019) has the molecular formula C7H8F4O2 and a molecular weight of 200.13 g/mol. Its IUPAC name is 5,5,6,6-tetrafluoro-2-methylidenehexanoic acid.

Molecular Properties

Compound Name5,5,6,6-tetrafluoro-2-methylidenehexanoic acid
PubChem CID18638019
Molecular FormulaC7H8F4O2
Molecular Weight200.13 g/mol
Exact Mass200.05
IUPAC Name5,5,6,6-tetrafluoro-2-methylidenehexanoic acid
SMILESC=C(CCC(F)(F)C(F)F)C(=O)O
InChIInChI=1S/C7H8F4O2/c1-4(5(12)13)2-3-7(10,11)6(8)9/h6H,1-3H2,(H,12,13)
InChIKeyDIOBVBACSGKQKG-UHFFFAOYSA-N
XLogP2.31
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Butyl acrylic acid
CID 168447
2-Methylenehexanedioic Acid
CID 17900745
2-(Difluoromethylidene)-4-methylpent-4-enoic acid
CID 123913066
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoro-2-methylideneundecanoic acid
CID 10311353
3,3,4,4,5,5,6,6,6-Nonafluoro-2-methylidenehexanoic acid
CID 13913117
2-(Difluoromethylidene)hexanoic acid
CID 14489850
3,4,4,5,5,6,6,6-Octafluoro-2-methylidenehexanoic acid
CID 17875850
3,3,4,4,5,5,6,6-Octafluoro-2-methylideneheptanoic acid
CID 17877931
2-(1,2,2,3-Tetrafluorocyclobutyl)prop-2-enoic acid
CID 17883227
3,3,4,4,5,5,6,6,7,7,8-Undecafluoro-2-methylideneoctanoic acid
CID 17892915
3,3,4,4,5,5,6,6,7-Nonafluoro-2-methylideneheptanoic acid
CID 17892917
4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-Heptatriacontafluoro-2-methylidenehenicosanoic acid
CID 17936732

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetrafluoro-2-methylidenehexanoic acid?
The IUPAC name of 5,5,6,6-tetrafluoro-2-methylidenehexanoic acid (CID 18638019) is 5,5,6,6-tetrafluoro-2-methylidenehexanoic acid.
What is the SMILES notation for 5,5,6,6-tetrafluoro-2-methylidenehexanoic acid?
The canonical SMILES for 5,5,6,6-tetrafluoro-2-methylidenehexanoic acid is C=C(CCC(F)(F)C(F)F)C(=O)O.
What is the InChIKey of 5,5,6,6-tetrafluoro-2-methylidenehexanoic acid?
The InChIKey is DIOBVBACSGKQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4O2/c1-4(5(12)13)2-3-7(10,11)6(8)9/h6H,1-3H2,(H,12,13).
What are the key properties of 5,5,6,6-tetrafluoro-2-methylidenehexanoic acid?
5,5,6,6-tetrafluoro-2-methylidenehexanoic acid has a molecular weight of 200.13 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetrafluoro-2-methylidenehexanoic acid is sourced from PubChem (CID 18638019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).