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

C9H8F9IO — CID 102011675

IUPAC(E)-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-ONEGZZNKSA-N
MW430.05 g/mol
LogP4.54
Rot. Bonds4

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

(E)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol (PubChem CID 102011675) has the molecular formula C9H8F9IO and a molecular weight of 430.05 g/mol. Its IUPAC name is (E)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol.

Molecular Properties

Compound Name(E)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol
PubChem CID102011675
Molecular FormulaC9H8F9IO
Molecular Weight430.05 g/mol
Exact Mass429.95
IUPAC Name(E)-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-ONEGZZNKSA-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'}

Analyze (E)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol with MolForge

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Related Compounds

(Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol
CID 12036415
5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-1-(4-methoxyphenyl)-2-methyloct-3-en-2-ol
CID 164897946
8,8,9,9,10,10,11,11,12,12,12-undecafluoro-6-iodododec-6-en-1-ol
CID 153324036
9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluoro-7-iodohexadec-7-en-1-ol
CID 153324272
(Z)-3-iodo-2-methylpent-3-en-2-ol
CID 134854673
(E)-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodohexadec-7-ene
CID 11093095
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-methyloctan-2-ol
CID 14007658
4-[(E)-3,3,4,4,5,5,6,6,6-nonafluoro-1-iodohex-1-enyl]benzonitrile
CID 170560421
3-bromo-4-[(E)-3,3,4,4,5,5,6,6,6-nonafluoro-1-iodohex-1-enyl]thiophene
CID 89163195
2-hydroxyethyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-methyltridec-2-enoate
CID 175231805
1,1,1,2,2,3,3-heptafluoro-5-iodopentadec-4-ene
CID 153324074
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-henicosafluoro-2-methyltridec-2-enoate
CID 175381852

Frequently Asked Questions

What is the IUPAC name of (E)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol?
The IUPAC name of (E)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol (CID 102011675) is (E)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol.
What is the SMILES notation for (E)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol?
The canonical SMILES for (E)-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 (E)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol?
The InChIKey is RQUUNYKQJTVEJD-ONEGZZNKSA-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 (E)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol?
(E)-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 (E)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol is sourced from PubChem (CID 102011675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).