4-fluoroocta-3,5,6-trien-1-ol

C8H11FO — CID 57021227

IUPAC4-fluoroocta-3,5,6-trien-1-ol
SMILESCC=C=CC(F)=CCCO
InChIInChI=1S/C8H11FO/c1-2-3-5-8(9)6-4-7-10/h2,5-6,10H,4,7H2,1H3
InChIKeyUGWHZEGGKWQPRS-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.95
Rot. Bonds3

About 4-fluoroocta-3,5,6-trien-1-ol

4-fluoroocta-3,5,6-trien-1-ol (PubChem CID 57021227) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 4-fluoroocta-3,5,6-trien-1-ol.

Molecular Properties

Compound Name4-fluoroocta-3,5,6-trien-1-ol
PubChem CID57021227
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name4-fluoroocta-3,5,6-trien-1-ol
SMILESCC=C=CC(F)=CCCO
InChIInChI=1S/C8H11FO/c1-2-3-5-8(9)6-4-7-10/h2,5-6,10H,4,7H2,1H3
InChIKeyUGWHZEGGKWQPRS-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3,5-Octadien-1-ol, (3Z,5E)-
CID 59164020
3Z,6Z,8E-Dodecatrien-1-ol
CID 6442192
(all-E)-3,5,7-Tridecatriene-9,11-diyn-1-ol
CID 131752390
(3E,5Z)-3,5-Octadien-1-ol
CID 87170471
3Z,6E,8E-Dodecatrien-1-ol
CID 10976097
(3E)-hexa-3,5-dien-1-ol
CID 5314828
Nonadien-1-ol
CID 112657
3,6,8-Dodecatrien-1-ol
CID 5283307
(3E,5E)-trideca-3,5-dien-7,9,11-triyn-1-ol
CID 14443153
Trideca-3,5-dien-7,9,11-triyn-1-ol
CID 85770432
Hexa-3,5-dien-1-OL
CID 548851
3,6,8-Dodecatrien-1-ol, (Z,Z,Z)-
CID 13829068

Frequently Asked Questions

What is the IUPAC name of 4-fluoroocta-3,5,6-trien-1-ol?
The IUPAC name of 4-fluoroocta-3,5,6-trien-1-ol (CID 57021227) is 4-fluoroocta-3,5,6-trien-1-ol.
What is the SMILES notation for 4-fluoroocta-3,5,6-trien-1-ol?
The canonical SMILES for 4-fluoroocta-3,5,6-trien-1-ol is CC=C=CC(F)=CCCO.
What is the InChIKey of 4-fluoroocta-3,5,6-trien-1-ol?
The InChIKey is UGWHZEGGKWQPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-2-3-5-8(9)6-4-7-10/h2,5-6,10H,4,7H2,1H3.
What are the key properties of 4-fluoroocta-3,5,6-trien-1-ol?
4-fluoroocta-3,5,6-trien-1-ol has a molecular weight of 142.17 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoroocta-3,5,6-trien-1-ol is sourced from PubChem (CID 57021227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).