(E)-1,1,1-trifluoro-6-methoxy-2-(trifluoromethyl)hex-4-en-2-ol

C8H10F6O2 — CID 58999862

IUPAC(E)-1,1,1-trifluoro-6-methoxy-2-(trifluoromethyl)hex-4-en-2-ol
SMILESCOC/C=C/CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6O2/c1-16-5-3-2-4-6(15,7(9,10)11)8(12,13)14/h2-3,15H,4-5H2,1H3/b3-2+
InChIKeyZGMBGHDQPKZHDW-NSCUHMNNSA-N
MW252.15 g/mol
LogP2.43
Rot. Bonds4

About (E)-1,1,1-trifluoro-6-methoxy-2-(trifluoromethyl)hex-4-en-2-ol

(E)-1,1,1-trifluoro-6-methoxy-2-(trifluoromethyl)hex-4-en-2-ol (PubChem CID 58999862) has the molecular formula C8H10F6O2 and a molecular weight of 252.15 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-6-methoxy-2-(trifluoromethyl)hex-4-en-2-ol.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-6-methoxy-2-(trifluoromethyl)hex-4-en-2-ol
PubChem CID58999862
Molecular FormulaC8H10F6O2
Molecular Weight252.15 g/mol
Exact Mass252.06
IUPAC Name(E)-1,1,1-trifluoro-6-methoxy-2-(trifluoromethyl)hex-4-en-2-ol
SMILESCOC/C=C/CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H10F6O2/c1-16-5-3-2-4-6(15,7(9,10)11)8(12,13)14/h2-3,15H,4-5H2,1H3/b3-2+
InChIKeyZGMBGHDQPKZHDW-NSCUHMNNSA-N
XLogP2.43
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 52.43
H-Bond Donors ≤ 51
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-trifluoro-6-methoxy-2-(trifluoromethyl)hex-4-en-2-ol?
The IUPAC name of (E)-1,1,1-trifluoro-6-methoxy-2-(trifluoromethyl)hex-4-en-2-ol (CID 58999862) is (E)-1,1,1-trifluoro-6-methoxy-2-(trifluoromethyl)hex-4-en-2-ol.
What is the SMILES notation for (E)-1,1,1-trifluoro-6-methoxy-2-(trifluoromethyl)hex-4-en-2-ol?
The canonical SMILES for (E)-1,1,1-trifluoro-6-methoxy-2-(trifluoromethyl)hex-4-en-2-ol is COC/C=C/CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-6-methoxy-2-(trifluoromethyl)hex-4-en-2-ol?
The InChIKey is ZGMBGHDQPKZHDW-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H10F6O2/c1-16-5-3-2-4-6(15,7(9,10)11)8(12,13)14/h2-3,15H,4-5H2,1H3/b3-2+.
What are the key properties of (E)-1,1,1-trifluoro-6-methoxy-2-(trifluoromethyl)hex-4-en-2-ol?
(E)-1,1,1-trifluoro-6-methoxy-2-(trifluoromethyl)hex-4-en-2-ol has a molecular weight of 252.15 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-6-methoxy-2-(trifluoromethyl)hex-4-en-2-ol is sourced from PubChem (CID 58999862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).