6-fluorohexa-2,5-dien-1-ol

C6H9FO — CID 173259673

IUPAC6-fluorohexa-2,5-dien-1-ol
SMILESOCC=CCC=CF
InChIInChI=1S/C6H9FO/c7-5-3-1-2-4-6-8/h2-5,8H,1,6H2
InChIKeyVYJQCDQYXYZHID-UHFFFAOYSA-N
MW116.13 g/mol
LogP1.41
Rot. Bonds3

About 6-fluorohexa-2,5-dien-1-ol

6-fluorohexa-2,5-dien-1-ol (PubChem CID 173259673) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is 6-fluorohexa-2,5-dien-1-ol.

Molecular Properties

Compound Name6-fluorohexa-2,5-dien-1-ol
PubChem CID173259673
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name6-fluorohexa-2,5-dien-1-ol
SMILESOCC=CCC=CF
InChIInChI=1S/C6H9FO/c7-5-3-1-2-4-6-8/h2-5,8H,1,6H2
InChIKeyVYJQCDQYXYZHID-UHFFFAOYSA-N
XLogP1.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(213C)octa-2,6-diene-1,8-diol
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(1E)-1-fluoropenta-1,4-diene
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(2E,4E)-hexa-2,4-diene-1,6-diol
CID 6440316
(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
CID 27282124
(E)-4-(methylamino)but-2-en-1-ol
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4-(4-bromophenyl)but-2-en-1-ol
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[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium
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Frequently Asked Questions

What is the IUPAC name of 6-fluorohexa-2,5-dien-1-ol?
The IUPAC name of 6-fluorohexa-2,5-dien-1-ol (CID 173259673) is 6-fluorohexa-2,5-dien-1-ol.
What is the SMILES notation for 6-fluorohexa-2,5-dien-1-ol?
The canonical SMILES for 6-fluorohexa-2,5-dien-1-ol is OCC=CCC=CF.
What is the InChIKey of 6-fluorohexa-2,5-dien-1-ol?
The InChIKey is VYJQCDQYXYZHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO/c7-5-3-1-2-4-6-8/h2-5,8H,1,6H2.
What are the key properties of 6-fluorohexa-2,5-dien-1-ol?
6-fluorohexa-2,5-dien-1-ol has a molecular weight of 116.13 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorohexa-2,5-dien-1-ol is sourced from PubChem (CID 173259673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).