(E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol

C9H15F3O — CID 22939024

IUPAC(E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol
SMILESC/C=C/CCC(C)C(O)C(F)(F)F
InChIInChI=1S/C9H15F3O/c1-3-4-5-6-7(2)8(13)9(10,11)12/h3-4,7-8,13H,5-6H2,1-2H3/b4-3+
InChIKeyGZNWRSCWZPDVOJ-ONEGZZNKSA-N
MW196.21 g/mol
LogP2.90
Rot. Bonds4

About (E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol

(E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol (PubChem CID 22939024) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol
PubChem CID22939024
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name(E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol
SMILESC/C=C/CCC(C)C(O)C(F)(F)F
InChIInChI=1S/C9H15F3O/c1-3-4-5-6-7(2)8(13)9(10,11)12/h3-4,7-8,13H,5-6H2,1-2H3/b4-3+
InChIKeyGZNWRSCWZPDVOJ-ONEGZZNKSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.90
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 (E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol?
The IUPAC name of (E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol (CID 22939024) is (E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol.
What is the SMILES notation for (E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol?
The canonical SMILES for (E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol is C/C=C/CCC(C)C(O)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol?
The InChIKey is GZNWRSCWZPDVOJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H15F3O/c1-3-4-5-6-7(2)8(13)9(10,11)12/h3-4,7-8,13H,5-6H2,1-2H3/b4-3+.
What are the key properties of (E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol?
(E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol has a molecular weight of 196.21 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol is sourced from PubChem (CID 22939024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).