5-fluoroocta-4,6,7-trien-1-ol

C8H11FO — CID 57248947

IUPAC5-fluoroocta-4,6,7-trien-1-ol
SMILESC=C=CC(F)=CCCCO
InChIInChI=1S/C8H11FO/c1-2-5-8(9)6-3-4-7-10/h5-6,10H,1,3-4,7H2
InChIKeyRJSBHFUXRBYUNV-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.95
Rot. Bonds4

About 5-fluoroocta-4,6,7-trien-1-ol

5-fluoroocta-4,6,7-trien-1-ol (PubChem CID 57248947) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 5-fluoroocta-4,6,7-trien-1-ol.

Molecular Properties

Compound Name5-fluoroocta-4,6,7-trien-1-ol
PubChem CID57248947
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name5-fluoroocta-4,6,7-trien-1-ol
SMILESC=C=CC(F)=CCCCO
InChIInChI=1S/C8H11FO/c1-2-5-8(9)6-3-4-7-10/h5-6,10H,1,3-4,7H2
InChIKeyRJSBHFUXRBYUNV-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-fluorohexa-1,2,4-triene
CID 57264476
7-fluoro-4-methylhepta-1,2,4-triene
CID 57085200
(E)-6-chlorohept-5-en-1-ol
CID 89165631
6-(6-hydroxyhexa-1,2-dienoxy)hexa-4,5-dien-1-ol
CID 175565184
4,4-difluorobut-3-en-1-ol
CID 14855882
3-(buta-2,3-dienylamino)propan-1-ol
CID 56981851
(4E,8E)-5,9,13-trimethyltetradeca-4,8,12-trien-1-ol
CID 5362831
2-fluorooct-2-enal
CID 130783642
butane-1,4-diol;3-methylbuta-1,2-diene
CID 174287039
5,8-bis(trimethylsilyl)oct-4-en-7-yn-1-ol
CID 71441452
CID 157225905
CID 157225905
[(Z)-3-fluorooct-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 10684340

Frequently Asked Questions

What is the IUPAC name of 5-fluoroocta-4,6,7-trien-1-ol?
The IUPAC name of 5-fluoroocta-4,6,7-trien-1-ol (CID 57248947) is 5-fluoroocta-4,6,7-trien-1-ol.
What is the SMILES notation for 5-fluoroocta-4,6,7-trien-1-ol?
The canonical SMILES for 5-fluoroocta-4,6,7-trien-1-ol is C=C=CC(F)=CCCCO.
What is the InChIKey of 5-fluoroocta-4,6,7-trien-1-ol?
The InChIKey is RJSBHFUXRBYUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-2-5-8(9)6-3-4-7-10/h5-6,10H,1,3-4,7H2.
What are the key properties of 5-fluoroocta-4,6,7-trien-1-ol?
5-fluoroocta-4,6,7-trien-1-ol has a molecular weight of 142.17 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoroocta-4,6,7-trien-1-ol is sourced from PubChem (CID 57248947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).