(Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol

C8H12F3IO — CID 101139199

IUPAC(Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol
SMILESCC(C)C(C)(O)/C=C(\I)C(F)(F)F
InChIInChI=1S/C8H12F3IO/c1-5(2)7(3,13)4-6(12)8(9,10)11/h4-5,13H,1-3H3/b6-4-
InChIKeyNMVLVIJJCMCDED-XQRVVYSFSA-N
MW308.08 g/mol
LogP3.27
Rot. Bonds2

About (Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol

(Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol (PubChem CID 101139199) has the molecular formula C8H12F3IO and a molecular weight of 308.08 g/mol. Its IUPAC name is (Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol.

Molecular Properties

Compound Name(Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol
PubChem CID101139199
Molecular FormulaC8H12F3IO
Molecular Weight308.08 g/mol
Exact Mass307.99
IUPAC Name(Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol
SMILESCC(C)C(C)(O)/C=C(\I)C(F)(F)F
InChIInChI=1S/C8H12F3IO/c1-5(2)7(3,13)4-6(12)8(9,10)11/h4-5,13H,1-3H3/b6-4-
InChIKeyNMVLVIJJCMCDED-XQRVVYSFSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.08
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,1,1,4,4,4-hexafluoro-2-iodobut-2-ene
CID 11962025
5,5,6,6,6-pentafluoro-3-iodohex-3-en-2-ol
CID 86631045
2-chloro-2-fluoro-3-methylbutane
CID 88897527
2,3-dimethyl(213C)butan-2-ol
CID 100985919
1,1-dibromo-3-fluoro-3,4-dimethylpent-1-ene
CID 58304981
(Z)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol
CID 12036415
(E)-5,5,6,6,7,7,8,8,8-nonafluoro-3-iodo-2-methyloct-3-en-2-ol
CID 102011675
2,3,6-trimethylhepta-4,5-dien-3-ol
CID 12555430
2,3-dimethylbutan-2-ol;titanium
CID 151633599
(Z)-3-iodo-2-methylpent-3-en-2-ol
CID 134854673
(2R,3S)-2-fluoro-3,4-dimethylpentan-2-ol
CID 126592685
(2S)-2-hydroxy-3-methylbutan-2-olate
CID 59952741

Frequently Asked Questions

What is the IUPAC name of (Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol?
The IUPAC name of (Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol (CID 101139199) is (Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol.
What is the SMILES notation for (Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol?
The canonical SMILES for (Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol is CC(C)C(C)(O)/C=C(\I)C(F)(F)F.
What is the InChIKey of (Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol?
The InChIKey is NMVLVIJJCMCDED-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H12F3IO/c1-5(2)7(3,13)4-6(12)8(9,10)11/h4-5,13H,1-3H3/b6-4-.
What are the key properties of (Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol?
(Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol has a molecular weight of 308.08 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,6,6-trifluoro-5-iodo-2,3-dimethylhex-4-en-3-ol is sourced from PubChem (CID 101139199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).