6-fluoronona-5,7,8-trien-1-ol

C9H13FO — CID 57081783

IUPAC6-fluoronona-5,7,8-trien-1-ol
SMILESC=C=CC(F)=CCCCCO
InChIInChI=1S/C9H13FO/c1-2-6-9(10)7-4-3-5-8-11/h6-7,11H,1,3-5,8H2
InChIKeyBQERKOVHLXYREA-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.34
Rot. Bonds5

About 6-fluoronona-5,7,8-trien-1-ol

6-fluoronona-5,7,8-trien-1-ol (PubChem CID 57081783) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 6-fluoronona-5,7,8-trien-1-ol.

Molecular Properties

Compound Name6-fluoronona-5,7,8-trien-1-ol
PubChem CID57081783
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name6-fluoronona-5,7,8-trien-1-ol
SMILESC=C=CC(F)=CCCCCO
InChIInChI=1S/C9H13FO/c1-2-6-9(10)7-4-3-5-8-11/h6-7,11H,1,3-5,8H2
InChIKeyBQERKOVHLXYREA-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.34
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

5,7-Dodecadien-1-ol
CID 5283274
(5E,7Z)-dodeca-5,7-dien-1-ol
CID 5365647
(5Z,7E)-dodeca-5,7-dien-1-ol
CID 5365646
(5E,7E,9E,11E)-tetradeca-5,7,9,11-tetraen-1-ol
CID 101415351
Tetradeca-5,7,9,11-tetraen-1-ol
CID 162858610
3-Cyclooctatetraenylpropan-1-ol
CID 5370637
(5Z)-octa-5,7-dien-1-ol
CID 11297971
(Z)-7-fluorododec-6-en-1-ol
CID 138375713
(5E,7E)-trideca-5,7-dien-1-ol
CID 10943429
(5Z,7E)-trideca-5,7-dien-1-ol
CID 100983740
cis,trans-5,7-Dodecadienol
CID 525137
(5E)-octa-5,7-dien-1-ol
CID 10419192

Frequently Asked Questions

What is the IUPAC name of 6-fluoronona-5,7,8-trien-1-ol?
The IUPAC name of 6-fluoronona-5,7,8-trien-1-ol (CID 57081783) is 6-fluoronona-5,7,8-trien-1-ol.
What is the SMILES notation for 6-fluoronona-5,7,8-trien-1-ol?
The canonical SMILES for 6-fluoronona-5,7,8-trien-1-ol is C=C=CC(F)=CCCCCO.
What is the InChIKey of 6-fluoronona-5,7,8-trien-1-ol?
The InChIKey is BQERKOVHLXYREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-2-6-9(10)7-4-3-5-8-11/h6-7,11H,1,3-5,8H2.
What are the key properties of 6-fluoronona-5,7,8-trien-1-ol?
6-fluoronona-5,7,8-trien-1-ol has a molecular weight of 156.20 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoronona-5,7,8-trien-1-ol is sourced from PubChem (CID 57081783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).