(E)-4-fluoro-2-methylidenepent-3-en-1-ol

C6H9FO — CID 89400083

IUPAC(E)-4-fluoro-2-methylidenepent-3-en-1-ol
SMILESC=C(/C=C(\C)F)CO
InChIInChI=1S/C6H9FO/c1-5(4-8)3-6(2)7/h3,8H,1,4H2,2H3/b6-3+
InChIKeyLLTKROZJUFXVIM-ZZXKWVIFSA-N
MW116.13 g/mol
LogP1.41
Rot. Bonds2

About (E)-4-fluoro-2-methylidenepent-3-en-1-ol

(E)-4-fluoro-2-methylidenepent-3-en-1-ol (PubChem CID 89400083) has the molecular formula C6H9FO and a molecular weight of 116.13 g/mol. Its IUPAC name is (E)-4-fluoro-2-methylidenepent-3-en-1-ol.

Molecular Properties

Compound Name(E)-4-fluoro-2-methylidenepent-3-en-1-ol
PubChem CID89400083
Molecular FormulaC6H9FO
Molecular Weight116.13 g/mol
Exact Mass116.06
IUPAC Name(E)-4-fluoro-2-methylidenepent-3-en-1-ol
SMILESC=C(/C=C(\C)F)CO
InChIInChI=1S/C6H9FO/c1-5(4-8)3-6(2)7/h3,8H,1,4H2,2H3/b6-3+
InChIKeyLLTKROZJUFXVIM-ZZXKWVIFSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-fluoro-2-methylidenepent-3-en-1-ol?
The IUPAC name of (E)-4-fluoro-2-methylidenepent-3-en-1-ol (CID 89400083) is (E)-4-fluoro-2-methylidenepent-3-en-1-ol.
What is the SMILES notation for (E)-4-fluoro-2-methylidenepent-3-en-1-ol?
The canonical SMILES for (E)-4-fluoro-2-methylidenepent-3-en-1-ol is C=C(/C=C(\C)F)CO.
What is the InChIKey of (E)-4-fluoro-2-methylidenepent-3-en-1-ol?
The InChIKey is LLTKROZJUFXVIM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H9FO/c1-5(4-8)3-6(2)7/h3,8H,1,4H2,2H3/b6-3+.
What are the key properties of (E)-4-fluoro-2-methylidenepent-3-en-1-ol?
(E)-4-fluoro-2-methylidenepent-3-en-1-ol has a molecular weight of 116.13 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-fluoro-2-methylidenepent-3-en-1-ol is sourced from PubChem (CID 89400083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).