(Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one

C7H5F7O2 — CID 12951193

IUPAC(Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one
SMILESCC(=O)/C=C(\O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F7O2/c1-3(15)2-4(16)5(8,9)6(10,11)7(12,13)14/h2,16H,1H3/b4-2-
InChIKeyDQBJUPDAKSMDSK-RQOWECAXSA-N
MW254.10 g/mol
LogP2.85
Rot. Bonds3

About (Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one

(Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one (PubChem CID 12951193) has the molecular formula C7H5F7O2 and a molecular weight of 254.10 g/mol. Its IUPAC name is (Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one.

Molecular Properties

Compound Name(Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one
PubChem CID12951193
Molecular FormulaC7H5F7O2
Molecular Weight254.10 g/mol
Exact Mass254.02
IUPAC Name(Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one
SMILESCC(=O)/C=C(\O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C7H5F7O2/c1-3(15)2-4(16)5(8,9)6(10,11)7(12,13)14/h2,16H,1H3/b4-2-
InChIKeyDQBJUPDAKSMDSK-RQOWECAXSA-N
XLogP2.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.10
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

cerium;tetrakis(5,5,5-trifluoro-4-hydroxypent-3-en-2-one)
CID 155886786
bis(iron(3+));tris(5,5,5-trifluoro-4-hydroxypent-3-en-2-one)
CID 170920124
copper;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one
CID 58773962
iron;(Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one;bis((E)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one)
CID 159919059
cobalt;bis((Z)-5,5,5-trifluoro-4-hydroxypent-3-en-2-one);hydrate
CID 54669728
6,6,7,7,8,8,8-heptafluoro-5-hydroxy-2,2-dimethyloct-4-en-3-one;silver;triethylphosphane
CID 146157526
acetic acid;ethenyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 174733583
butane;2,2,3,3,4,4,4-heptafluorobutanoic acid
CID 173358412
N-acetyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 118933717
(E)-5-fluoro-4,5-dimethylhex-3-en-2-one
CID 12601610
methanol;2,2,3,3,4,4,5,5,5-nonafluoropentanoic acid
CID 175541225
ethyl (2Z,4Z)-6,6,7,7,8,8,8-heptafluoro-2-formamido-5-hydroxyocta-2,4-dienoate
CID 71501570

Frequently Asked Questions

What is the IUPAC name of (Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one?
The IUPAC name of (Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one (CID 12951193) is (Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one.
What is the SMILES notation for (Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one?
The canonical SMILES for (Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one is CC(=O)/C=C(\O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one?
The InChIKey is DQBJUPDAKSMDSK-RQOWECAXSA-N. The full InChI is InChI=1S/C7H5F7O2/c1-3(15)2-4(16)5(8,9)6(10,11)7(12,13)14/h2,16H,1H3/b4-2-.
What are the key properties of (Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one?
(Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one has a molecular weight of 254.10 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,6,6,7,7,7-heptafluoro-4-hydroxyhept-3-en-2-one is sourced from PubChem (CID 12951193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).