1,1,1-trifluoro-3-methyloct-6-en-2-ol

C9H15F3O — CID 74011063

IUPAC1,1,1-trifluoro-3-methyloct-6-en-2-ol
SMILESCC=CCCC(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
InChIKeyGZNWRSCWZPDVOJ-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.90
Rot. Bonds4

About 1,1,1-trifluoro-3-methyloct-6-en-2-ol

1,1,1-trifluoro-3-methyloct-6-en-2-ol (PubChem CID 74011063) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-methyloct-6-en-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-methyloct-6-en-2-ol
PubChem CID74011063
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name1,1,1-trifluoro-3-methyloct-6-en-2-ol
SMILESCC=CCCC(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
InChIKeyGZNWRSCWZPDVOJ-UHFFFAOYSA-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 1,1,1-trifluoro-3-methyloct-6-en-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-methyloct-6-en-2-ol (CID 74011063) is 1,1,1-trifluoro-3-methyloct-6-en-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-methyloct-6-en-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-methyloct-6-en-2-ol is CC=CCCC(C)C(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-methyloct-6-en-2-ol?
The InChIKey is GZNWRSCWZPDVOJ-UHFFFAOYSA-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.
What are the key properties of 1,1,1-trifluoro-3-methyloct-6-en-2-ol?
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 1,1,1-trifluoro-3-methyloct-6-en-2-ol is sourced from PubChem (CID 74011063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).