1-fluorooct-7-en-2-ol

C8H15FO — CID 12024928

IUPAC1-fluorooct-7-en-2-ol
SMILESC=CCCCCC(O)CF
InChIInChI=1S/C8H15FO/c1-2-3-4-5-6-8(10)7-9/h2,8,10H,1,3-7H2
InChIKeyULSSBWCRQDXPBT-UHFFFAOYSA-N
MW146.21 g/mol
LogP2.06
Rot. Bonds6

About 1-fluorooct-7-en-2-ol

1-fluorooct-7-en-2-ol (PubChem CID 12024928) has the molecular formula C8H15FO and a molecular weight of 146.21 g/mol. Its IUPAC name is 1-fluorooct-7-en-2-ol.

Molecular Properties

Compound Name1-fluorooct-7-en-2-ol
PubChem CID12024928
Molecular FormulaC8H15FO
Molecular Weight146.21 g/mol
Exact Mass146.11
IUPAC Name1-fluorooct-7-en-2-ol
SMILESC=CCCCCC(O)CF
InChIInChI=1S/C8H15FO/c1-2-3-4-5-6-8(10)7-9/h2,8,10H,1,3-7H2
InChIKeyULSSBWCRQDXPBT-UHFFFAOYSA-N
XLogP2.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluorooct-7-en-2-ol?
The IUPAC name of 1-fluorooct-7-en-2-ol (CID 12024928) is 1-fluorooct-7-en-2-ol.
What is the SMILES notation for 1-fluorooct-7-en-2-ol?
The canonical SMILES for 1-fluorooct-7-en-2-ol is C=CCCCCC(O)CF.
What is the InChIKey of 1-fluorooct-7-en-2-ol?
The InChIKey is ULSSBWCRQDXPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO/c1-2-3-4-5-6-8(10)7-9/h2,8,10H,1,3-7H2.
What are the key properties of 1-fluorooct-7-en-2-ol?
1-fluorooct-7-en-2-ol has a molecular weight of 146.21 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorooct-7-en-2-ol is sourced from PubChem (CID 12024928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).