(Z)-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-6-en-2-ol

C11H16F6O — CID 89159894

IUPAC(Z)-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-6-en-2-ol
SMILESC/C=C\CC(CC)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6O/c1-3-5-6-8(4-2)7-9(18,10(12,13)14)11(15,16)17/h3,5,8,18H,4,6-7H2,1-2H3/b5-3-
InChIKeyNRZHGDVOPOWSLB-HYXAFXHYSA-N
MW278.24 g/mol
LogP4.22
Rot. Bonds5

About (Z)-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-6-en-2-ol

(Z)-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-6-en-2-ol (PubChem CID 89159894) has the molecular formula C11H16F6O and a molecular weight of 278.24 g/mol. Its IUPAC name is (Z)-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-6-en-2-ol.

Molecular Properties

Compound Name(Z)-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-6-en-2-ol
PubChem CID89159894
Molecular FormulaC11H16F6O
Molecular Weight278.24 g/mol
Exact Mass278.11
IUPAC Name(Z)-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-6-en-2-ol
SMILESC/C=C\CC(CC)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6O/c1-3-5-6-8(4-2)7-9(18,10(12,13)14)11(15,16)17/h3,5,8,18H,4,6-7H2,1-2H3/b5-3-
InChIKeyNRZHGDVOPOWSLB-HYXAFXHYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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)-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-6-en-2-ol?
The IUPAC name of (Z)-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-6-en-2-ol (CID 89159894) is (Z)-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-6-en-2-ol.
What is the SMILES notation for (Z)-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-6-en-2-ol?
The canonical SMILES for (Z)-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-6-en-2-ol is C/C=C\CC(CC)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (Z)-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-6-en-2-ol?
The InChIKey is NRZHGDVOPOWSLB-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H16F6O/c1-3-5-6-8(4-2)7-9(18,10(12,13)14)11(15,16)17/h3,5,8,18H,4,6-7H2,1-2H3/b5-3-.
What are the key properties of (Z)-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-6-en-2-ol?
(Z)-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-6-en-2-ol has a molecular weight of 278.24 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)oct-6-en-2-ol is sourced from PubChem (CID 89159894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).