(2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol

C8H13F3O — CID 10631266

IUPAC(2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol
SMILESCC(C)=CCC[C@@H](O)C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-6(2)4-3-5-7(12)8(9,10)11/h4,7,12H,3,5H2,1-2H3/t7-/m1/s1
InChIKeyWGGXPIRIXIVGTE-SSDOTTSWSA-N
MW182.18 g/mol
LogP2.66
Rot. Bonds3

About (2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol

(2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol (PubChem CID 10631266) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol
PubChem CID10631266
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name(2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol
SMILESCC(C)=CCC[C@@H](O)C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-6(2)4-3-5-7(12)8(9,10)11/h4,7,12H,3,5H2,1-2H3/t7-/m1/s1
InChIKeyWGGXPIRIXIVGTE-SSDOTTSWSA-N
XLogP2.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 52.66
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 (2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol (CID 10631266) is (2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol is CC(C)=CCC[C@@H](O)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol?
The InChIKey is WGGXPIRIXIVGTE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13F3O/c1-6(2)4-3-5-7(12)8(9,10)11/h4,7,12H,3,5H2,1-2H3/t7-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol?
(2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol has a molecular weight of 182.18 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-6-methylhept-5-en-2-ol is sourced from PubChem (CID 10631266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).