4-(5-fluoropenta-1,3-diynyl)phenol

C11H7FO — CID 139924232

IUPAC4-(5-fluoropenta-1,3-diynyl)phenol
SMILESOc1ccc(C#CC#CCF)cc1
InChIInChI=1S/C11H7FO/c12-9-3-1-2-4-10-5-7-11(13)8-6-10/h5-8,13H,9H2
InChIKeyOTDAGPXKCMLNBO-UHFFFAOYSA-N
MW174.17 g/mol
LogP1.72
Rot. Bonds

About 4-(5-fluoropenta-1,3-diynyl)phenol

4-(5-fluoropenta-1,3-diynyl)phenol (PubChem CID 139924232) has the molecular formula C11H7FO and a molecular weight of 174.17 g/mol. Its IUPAC name is 4-(5-fluoropenta-1,3-diynyl)phenol.

Molecular Properties

Compound Name4-(5-fluoropenta-1,3-diynyl)phenol
PubChem CID139924232
Molecular FormulaC11H7FO
Molecular Weight174.17 g/mol
Exact Mass174.05
IUPAC Name4-(5-fluoropenta-1,3-diynyl)phenol
SMILESOc1ccc(C#CC#CCF)cc1
InChIInChI=1S/C11H7FO/c12-9-3-1-2-4-10-5-7-11(13)8-6-10/h5-8,13H,9H2
InChIKeyOTDAGPXKCMLNBO-UHFFFAOYSA-N
XLogP1.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloroethynyl)phenol
CID 71424753
4-(2-trimethylsilylethynyl)phenol
CID 10750210
methyl 4-(4-hydroxyphenyl)but-3-ynoate
CID 170468889
4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol
CID 11843653
4-[2-[4-[2-(4-hydroxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71093897
4-[5-(4-hydroxyphenyl)-3,3-bis[2-(4-hydroxyphenyl)ethynyl]penta-1,4-diynyl]phenol
CID 157453096
4-[4-(methylamino)but-1-ynyl]phenol
CID 170463741
4-[5-(dimethylamino)penta-1,3-diynyl]benzoic acid
CID 59417249
4-but-3-en-1-ynylphenol
CID 71362981
4-[4-(4-carbonochloridoylphenyl)buta-1,3-diynyl]benzoyl chloride
CID 14793293
5-(4-fluorophenyl)penta-2,4-diynoic acid
CID 119088669
3-(4-hydroxyphenyl)-1-phenylprop-2-yn-1-one
CID 11481454

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropenta-1,3-diynyl)phenol?
The IUPAC name of 4-(5-fluoropenta-1,3-diynyl)phenol (CID 139924232) is 4-(5-fluoropenta-1,3-diynyl)phenol.
What is the SMILES notation for 4-(5-fluoropenta-1,3-diynyl)phenol?
The canonical SMILES for 4-(5-fluoropenta-1,3-diynyl)phenol is Oc1ccc(C#CC#CCF)cc1.
What is the InChIKey of 4-(5-fluoropenta-1,3-diynyl)phenol?
The InChIKey is OTDAGPXKCMLNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO/c12-9-3-1-2-4-10-5-7-11(13)8-6-10/h5-8,13H,9H2.
What are the key properties of 4-(5-fluoropenta-1,3-diynyl)phenol?
4-(5-fluoropenta-1,3-diynyl)phenol has a molecular weight of 174.17 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropenta-1,3-diynyl)phenol is sourced from PubChem (CID 139924232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).