(Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol

C9H8F9IO — CID 12036415

IUPAC(Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol
SMILESCC(C)(O)/C(I)=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F9IO/c1-5(2,20)4(19)3-6(10,11)7(12,13)8(14,15)9(16,17)18/h3,20H,1-2H3/b4-3-
InChIKeyRQUUNYKQJTVEJD-ARJAWSKDSA-N
MW430.05 g/mol
LogP4.54
Rot. Bonds4

About (Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol

(Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol (PubChem CID 12036415) has the molecular formula C9H8F9IO and a molecular weight of 430.05 g/mol. Its IUPAC name is (Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol.

Molecular Properties

Compound Name(Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol
PubChem CID12036415
Molecular FormulaC9H8F9IO
Molecular Weight430.05 g/mol
Exact Mass429.95
IUPAC Name(Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol
SMILESCC(C)(O)/C(I)=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H8F9IO/c1-5(2,20)4(19)3-6(10,11)7(12,13)8(14,15)9(16,17)18/h3,20H,1-2H3/b4-3-
InChIKeyRQUUNYKQJTVEJD-ARJAWSKDSA-N
XLogP4.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.05
LogP ≤ 54.54
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)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol?
The IUPAC name of (Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol (CID 12036415) is (Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol.
What is the SMILES notation for (Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol?
The canonical SMILES for (Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol is CC(C)(O)/C(I)=C/C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol?
The InChIKey is RQUUNYKQJTVEJD-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H8F9IO/c1-5(2,20)4(19)3-6(10,11)7(12,13)8(14,15)9(16,17)18/h3,20H,1-2H3/b4-3-.
What are the key properties of (Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol?
(Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol has a molecular weight of 430.05 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol is sourced from PubChem (CID 12036415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).