(Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol

C10H14F6O2 — CID 59153599

IUPAC(Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol
SMILESC/C(=C/C(C)(O)C(F)(F)F)CC(C)(O)C(F)(F)F
InChIInChI=1S/C10H14F6O2/c1-6(4-7(2,17)9(11,12)13)5-8(3,18)10(14,15)16/h4,17-18H,5H2,1-3H3/b6-4-
InChIKeyFKUPGIULSJILIU-XQRVVYSFSA-N
MW280.21 g/mol
LogP2.95
Rot. Bonds3

About (Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol

(Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol (PubChem CID 59153599) has the molecular formula C10H14F6O2 and a molecular weight of 280.21 g/mol. Its IUPAC name is (Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol.

Molecular Properties

Compound Name(Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol
PubChem CID59153599
Molecular FormulaC10H14F6O2
Molecular Weight280.21 g/mol
Exact Mass280.09
IUPAC Name(Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol
SMILESC/C(=C/C(C)(O)C(F)(F)F)CC(C)(O)C(F)(F)F
InChIInChI=1S/C10H14F6O2/c1-6(4-7(2,17)9(11,12)13)5-8(3,18)10(14,15)16/h4,17-18H,5H2,1-3H3/b6-4-
InChIKeyFKUPGIULSJILIU-XQRVVYSFSA-N
XLogP2.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol?
The IUPAC name of (Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol (CID 59153599) is (Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol.
What is the SMILES notation for (Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol?
The canonical SMILES for (Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol is C/C(=C/C(C)(O)C(F)(F)F)CC(C)(O)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol?
The InChIKey is FKUPGIULSJILIU-XQRVVYSFSA-N. The full InChI is InChI=1S/C10H14F6O2/c1-6(4-7(2,17)9(11,12)13)5-8(3,18)10(14,15)16/h4,17-18H,5H2,1-3H3/b6-4-.
What are the key properties of (Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol?
(Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol has a molecular weight of 280.21 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,7,7,7-hexafluoro-2,4,6-trimethylhept-3-ene-2,6-diol is sourced from PubChem (CID 59153599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).