(E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol

C10H8F12O2 — CID 87143588

IUPAC(E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol
SMILESOC(C/C=C/CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F12O2/c11-7(12,13)5(23,8(14,15)16)3-1-2-4-6(24,9(17,18)19)10(20,21)22/h1-2,23-24H,3-4H2/b2-1+
InChIKeyQRESLSSBKZBMJP-OWOJBTEDSA-N
MW388.15 g/mol
LogP4.03
Rot. Bonds4

About (E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol

(E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol (PubChem CID 87143588) has the molecular formula C10H8F12O2 and a molecular weight of 388.15 g/mol. Its IUPAC name is (E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol.

Molecular Properties

Compound Name(E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol
PubChem CID87143588
Molecular FormulaC10H8F12O2
Molecular Weight388.15 g/mol
Exact Mass388.03
IUPAC Name(E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol
SMILESOC(C/C=C/CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H8F12O2/c11-7(12,13)5(23,8(14,15)16)3-1-2-4-6(24,9(17,18)19)10(20,21)22/h1-2,23-24H,3-4H2/b2-1+
InChIKeyQRESLSSBKZBMJP-OWOJBTEDSA-N
XLogP4.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.15
LogP ≤ 54.03
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 (E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol?
The IUPAC name of (E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol (CID 87143588) is (E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol.
What is the SMILES notation for (E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol?
The canonical SMILES for (E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol is OC(C/C=C/CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol?
The InChIKey is QRESLSSBKZBMJP-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H8F12O2/c11-7(12,13)5(23,8(14,15)16)3-1-2-4-6(24,9(17,18)19)10(20,21)22/h1-2,23-24H,3-4H2/b2-1+.
What are the key properties of (E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol?
(E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol has a molecular weight of 388.15 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1,8,8,8-hexafluoro-2,7-bis(trifluoromethyl)oct-4-ene-2,7-diol is sourced from PubChem (CID 87143588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).