(Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol

C7H8F5IO — CID 87570325

IUPAC(Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol
SMILESCCC(O)/C(I)=C/C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F5IO/c1-2-5(14)4(13)3-6(8,9)7(10,11)12/h3,5,14H,2H2,1H3/b4-3-
InChIKeyRQMYMANNTGNORX-ARJAWSKDSA-N
MW330.03 g/mol
LogP3.27
Rot. Bonds3

About (Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol

(Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol (PubChem CID 87570325) has the molecular formula C7H8F5IO and a molecular weight of 330.03 g/mol. Its IUPAC name is (Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol.

Molecular Properties

Compound Name(Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol
PubChem CID87570325
Molecular FormulaC7H8F5IO
Molecular Weight330.03 g/mol
Exact Mass329.95
IUPAC Name(Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol
SMILESCCC(O)/C(I)=C/C(F)(F)C(F)(F)F
InChIInChI=1S/C7H8F5IO/c1-2-5(14)4(13)3-6(8,9)7(10,11)12/h3,5,14H,2H2,1H3/b4-3-
InChIKeyRQMYMANNTGNORX-ARJAWSKDSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.03
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol?
The IUPAC name of (Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol (CID 87570325) is (Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol.
What is the SMILES notation for (Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol?
The canonical SMILES for (Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol is CCC(O)/C(I)=C/C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol?
The InChIKey is RQMYMANNTGNORX-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H8F5IO/c1-2-5(14)4(13)3-6(8,9)7(10,11)12/h3,5,14H,2H2,1H3/b4-3-.
What are the key properties of (Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol?
(Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol has a molecular weight of 330.03 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,6,7,7,7-pentafluoro-4-iodohept-4-en-3-ol is sourced from PubChem (CID 87570325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).