(E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol

C8H13F3O — CID 126727973

IUPAC(E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol
SMILESC/C=C(/O)CCC(C)C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-3-7(12)5-4-6(2)8(9,10)11/h3,6,12H,4-5H2,1-2H3/b7-3+
InChIKeyHVZNFRYBOJDTBB-XVNBXDOJSA-N
MW182.18 g/mol
LogP3.43
Rot. Bonds3

About (E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol

(E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol (PubChem CID 126727973) has the molecular formula C8H13F3O and a molecular weight of 182.18 g/mol. Its IUPAC name is (E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol.

Molecular Properties

Compound Name(E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol
PubChem CID126727973
Molecular FormulaC8H13F3O
Molecular Weight182.18 g/mol
Exact Mass182.09
IUPAC Name(E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol
SMILESC/C=C(/O)CCC(C)C(F)(F)F
InChIInChI=1S/C8H13F3O/c1-3-7(12)5-4-6(2)8(9,10)11/h3,6,12H,4-5H2,1-2H3/b7-3+
InChIKeyHVZNFRYBOJDTBB-XVNBXDOJSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol?
The IUPAC name of (E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol (CID 126727973) is (E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol.
What is the SMILES notation for (E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol?
The canonical SMILES for (E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol is C/C=C(/O)CCC(C)C(F)(F)F.
What is the InChIKey of (E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol?
The InChIKey is HVZNFRYBOJDTBB-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H13F3O/c1-3-7(12)5-4-6(2)8(9,10)11/h3,6,12H,4-5H2,1-2H3/b7-3+.
What are the key properties of (E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol?
(E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol has a molecular weight of 182.18 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-7,7,7-trifluoro-6-methylhept-2-en-3-ol is sourced from PubChem (CID 126727973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).