(2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-ol

C10H17FO — CID 12713282

IUPAC(2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-ol
SMILESCC(C)=CCC/C(C)=C(/F)CO
InChIInChI=1S/C10H17FO/c1-8(2)5-4-6-9(3)10(11)7-12/h5,12H,4,6-7H2,1-3H3/b10-9+
InChIKeyXAIXQWWXQKMCFZ-MDZDMXLPSA-N
MW172.24 g/mol
LogP2.97
Rot. Bonds4

About (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-ol

(2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-ol (PubChem CID 12713282) has the molecular formula C10H17FO and a molecular weight of 172.24 g/mol. Its IUPAC name is (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-ol
PubChem CID12713282
Molecular FormulaC10H17FO
Molecular Weight172.24 g/mol
Exact Mass172.13
IUPAC Name(2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-ol
SMILESCC(C)=CCC/C(C)=C(/F)CO
InChIInChI=1S/C10H17FO/c1-8(2)5-4-6-9(3)10(11)7-12/h5,12H,4,6-7H2,1-3H3/b10-9+
InChIKeyXAIXQWWXQKMCFZ-MDZDMXLPSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.24
LogP ≤ 52.97
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 (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-ol?
The IUPAC name of (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-ol (CID 12713282) is (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-ol.
What is the SMILES notation for (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-ol?
The canonical SMILES for (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-ol is CC(C)=CCC/C(C)=C(/F)CO.
What is the InChIKey of (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-ol?
The InChIKey is XAIXQWWXQKMCFZ-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H17FO/c1-8(2)5-4-6-9(3)10(11)7-12/h5,12H,4,6-7H2,1-3H3/b10-9+.
What are the key properties of (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-ol?
(2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-ol has a molecular weight of 172.24 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-fluoro-3,7-dimethylocta-2,6-dien-1-ol is sourced from PubChem (CID 12713282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).