(3E)-2-fluorohexa-3,5-dien-3-ol

C6H9FO — CID 170094362

IUPAC(3E)-2-fluorohexa-3,5-dien-3-ol
SMILESC=C/C=C(/O)C(C)F
InChIInChI=1S/C6H9FO/c1-3-4-6(8)5(2)7/h3-5,8H,1H2,2H3/b6-4+
InChIKeyDGIXZQIGKSBYAM-GQCTYLIASA-N
MW116.13 g/mol
LogP1.97
Rot. Bonds2

About (3E)-2-fluorohexa-3,5-dien-3-ol

(3E)-2-fluorohexa-3,5-dien-3-ol (PubChem CID 170094362) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is (3E)-2-fluorohexa-3,5-dien-3-ol.

Molecular Properties

Compound Name(3E)-2-fluorohexa-3,5-dien-3-ol
PubChem CID170094362
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name(3E)-2-fluorohexa-3,5-dien-3-ol
SMILESC=C/C=C(/O)C(C)F
InChIInChI=1S/C6H9FO/c1-3-4-6(8)5(2)7/h3-5,8H,1H2,2H3/b6-4+
InChIKeyDGIXZQIGKSBYAM-GQCTYLIASA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.13
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

fluoroform;(3Z)-3-methylhexa-1,3,5-triene
CID 142106535
alumane;2-fluoropropanoic acid
CID 173229818
(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 142915962
(2S)-3-methylhexa-3,5-dien-2-ol
CID 91237293
ethane;(3E)-2-methylhexa-1,3,5-trien-3-ol
CID 144511153
ethane;(3Z)-3-propan-2-ylhexa-1,3,5-triene
CID 142182204
1,1,2,3,3-pentafluoroprop-1-ene;prop-1-ene;hydrofluoride
CID 161214870
ethane;(3E)-4-ethyl-5-methylhexa-1,3-diene
CID 143713384
1-fluoroethanol;rutherfordium
CID 58987118
buta-1,3-diene;2-methylpropane
CID 161376198
buta-1,3-diene;butane-2,3-diol;but-3-en-2-ol
CID 157123316
(2R,3E)-3-ethenylhexa-3,5-dien-2-amine
CID 142221873

Frequently Asked Questions

What is the IUPAC name of (3E)-2-fluorohexa-3,5-dien-3-ol?
The IUPAC name of (3E)-2-fluorohexa-3,5-dien-3-ol (CID 170094362) is (3E)-2-fluorohexa-3,5-dien-3-ol.
What is the SMILES notation for (3E)-2-fluorohexa-3,5-dien-3-ol?
The canonical SMILES for (3E)-2-fluorohexa-3,5-dien-3-ol is C=C/C=C(/O)C(C)F.
What is the InChIKey of (3E)-2-fluorohexa-3,5-dien-3-ol?
The InChIKey is DGIXZQIGKSBYAM-GQCTYLIASA-N. The full InChI is InChI=1S/C6H9FO/c1-3-4-6(8)5(2)7/h3-5,8H,1H2,2H3/b6-4+.
What are the key properties of (3E)-2-fluorohexa-3,5-dien-3-ol?
(3E)-2-fluorohexa-3,5-dien-3-ol has a molecular weight of 116.13 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-fluorohexa-3,5-dien-3-ol is sourced from PubChem (CID 170094362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).