5,5,6,6,6-pentafluorohexanoic acid

C6H7F5O2 — CID 12017059

IUPAC5,5,6,6,6-pentafluorohexanoic acid
SMILESO=C(O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F5O2/c7-5(8,6(9,10)11)3-1-2-4(12)13/h1-3H2,(H,12,13)
InChIKeyVQNQZVLVFCPHTP-UHFFFAOYSA-N
MW206.11 g/mol
LogP2.44
Rot. Bonds4

About 5,5,6,6,6-pentafluorohexanoic acid

5,5,6,6,6-pentafluorohexanoic acid (PubChem CID 12017059) has the molecular formula C6H7F5O2 and a molecular weight of 206.11 g/mol. Its IUPAC name is 5,5,6,6,6-pentafluorohexanoic acid.

Molecular Properties

Compound Name5,5,6,6,6-pentafluorohexanoic acid
PubChem CID12017059
Molecular FormulaC6H7F5O2
Molecular Weight206.11 g/mol
Exact Mass206.04
IUPAC Name5,5,6,6,6-pentafluorohexanoic acid
SMILESO=C(O)CCCC(F)(F)C(F)(F)F
InChIInChI=1S/C6H7F5O2/c7-5(8,6(9,10)11)3-1-2-4(12)13/h1-3H2,(H,12,13)
InChIKeyVQNQZVLVFCPHTP-UHFFFAOYSA-N
XLogP2.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,5,6,6,7,7,8,8,9,9,9-undecafluorononanoic acid
CID 18469837
24,24,25,25,26,26,27,27,27-nonafluoroheptacosanoic acid
CID 71357304
5,5-difluorohexanoic acid
CID 53418167
9,9,10,10,11,11,12,12,13,13,13-undecafluorotridecanoic acid
CID 101432379
6,6-bis(5,5,6,6,6-pentafluorohexoxy)hexanoic acid
CID 164552473
carboxymethyl-dimethyl-(4,4,5,5,5-pentafluoropentyl)azanium
CID 163324327
11,11,12,12,12-pentafluoro-9-iodododecanoic acid
CID 150431838
methyl 11,11,12,12,12-pentafluorododecanoate
CID 11324149
chloromethane;pentanedioic acid
CID 159659659
bis(hexanedioic acid);piperazine
CID 159642331
5,5,5-trifluoro-4,4-dimethylpentanoic acid
CID 129074963
tridecanedioic acid;undecanedioic acid
CID 158333715

Frequently Asked Questions

What is the IUPAC name of 5,5,6,6,6-pentafluorohexanoic acid?
The IUPAC name of 5,5,6,6,6-pentafluorohexanoic acid (CID 12017059) is 5,5,6,6,6-pentafluorohexanoic acid.
What is the SMILES notation for 5,5,6,6,6-pentafluorohexanoic acid?
The canonical SMILES for 5,5,6,6,6-pentafluorohexanoic acid is O=C(O)CCCC(F)(F)C(F)(F)F.
What is the InChIKey of 5,5,6,6,6-pentafluorohexanoic acid?
The InChIKey is VQNQZVLVFCPHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O2/c7-5(8,6(9,10)11)3-1-2-4(12)13/h1-3H2,(H,12,13).
What are the key properties of 5,5,6,6,6-pentafluorohexanoic acid?
5,5,6,6,6-pentafluorohexanoic acid has a molecular weight of 206.11 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6,6-pentafluorohexanoic acid is sourced from PubChem (CID 12017059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).