3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol

C11H14FNO — CID 112585804

IUPAC3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol
SMILESC=CCC(O)(CC)c1ccc(F)cn1
InChIInChI=1S/C11H14FNO/c1-3-7-11(14,4-2)10-6-5-9(12)8-13-10/h3,5-6,8,14H,1,4,7H2,2H3
InChIKeyNJCLDQLEJLJVCY-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.39
Rot. Bonds4

About 3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol

3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol (PubChem CID 112585804) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol
PubChem CID112585804
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol
SMILESC=CCC(O)(CC)c1ccc(F)cn1
InChIInChI=1S/C11H14FNO/c1-3-7-11(14,4-2)10-6-5-9(12)8-13-10/h3,5-6,8,14H,1,4,7H2,2H3
InChIKeyNJCLDQLEJLJVCY-UHFFFAOYSA-N
XLogP2.39
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol (CID 112585804) is 3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol is C=CCC(O)(CC)c1ccc(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol?
The InChIKey is NJCLDQLEJLJVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-3-7-11(14,4-2)10-6-5-9(12)8-13-10/h3,5-6,8,14H,1,4,7H2,2H3.
What are the key properties of 3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol?
3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol has a molecular weight of 195.24 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol is sourced from PubChem (CID 112585804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).