2-(2-fluorophenyl)hept-5-yn-2-ol

C13H15FO — CID 104809268

IUPAC2-(2-fluorophenyl)hept-5-yn-2-ol
SMILESCC#CCCC(C)(O)c1ccccc1F
InChIInChI=1S/C13H15FO/c1-3-4-7-10-13(2,15)11-8-5-6-9-12(11)14/h5-6,8-9,15H,7,10H2,1-2H3
InChIKeyYHPKAHWTONDKPP-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.84
Rot. Bonds3

About 2-(2-fluorophenyl)hept-5-yn-2-ol

2-(2-fluorophenyl)hept-5-yn-2-ol (PubChem CID 104809268) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-(2-fluorophenyl)hept-5-yn-2-ol.

Molecular Properties

Compound Name2-(2-fluorophenyl)hept-5-yn-2-ol
PubChem CID104809268
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name2-(2-fluorophenyl)hept-5-yn-2-ol
SMILESCC#CCCC(C)(O)c1ccccc1F
InChIInChI=1S/C13H15FO/c1-3-4-7-10-13(2,15)11-8-5-6-9-12(11)14/h5-6,8-9,15H,7,10H2,1-2H3
InChIKeyYHPKAHWTONDKPP-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.84
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

1-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 114930965
2-(2-fluorophenyl)nonan-2-ol
CID 65144891
2-(2-fluorophenyl)-4-methylsulfonylbutan-2-ol
CID 65145426
2-(2-fluorophenyl)-1-(methylamino)propan-2-ol
CID 62774362
2-(4-chlorophenyl)hept-5-yn-2-ol
CID 104809269
1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 105402442
2-(3-fluoro-4-methylphenyl)hept-5-yn-2-ol
CID 104809630
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 103047475
1-(2-chloro-6-fluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 61496162
2-(4-bromophenyl)hept-5-yn-2-ol
CID 104809274
2-(2-fluorophenyl)-1-thiophen-3-ylpropan-2-ol
CID 65144889
1-(3-bromo-2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 106265089

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)hept-5-yn-2-ol?
The IUPAC name of 2-(2-fluorophenyl)hept-5-yn-2-ol (CID 104809268) is 2-(2-fluorophenyl)hept-5-yn-2-ol.
What is the SMILES notation for 2-(2-fluorophenyl)hept-5-yn-2-ol?
The canonical SMILES for 2-(2-fluorophenyl)hept-5-yn-2-ol is CC#CCCC(C)(O)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)hept-5-yn-2-ol?
The InChIKey is YHPKAHWTONDKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c1-3-4-7-10-13(2,15)11-8-5-6-9-12(11)14/h5-6,8-9,15H,7,10H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)hept-5-yn-2-ol?
2-(2-fluorophenyl)hept-5-yn-2-ol has a molecular weight of 206.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)hept-5-yn-2-ol is sourced from PubChem (CID 104809268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).