3-(4-fluorophenyl)prop-2-yn-1-ol

C9H7FO — CID 2782698

IUPAC3-(4-fluorophenyl)prop-2-yn-1-ol
SMILESOCC#Cc1ccc(F)cc1
InChIInChI=1S/C9H7FO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7H2
InChIKeyZROXSIPANMVWHB-UHFFFAOYSA-N
MW150.15 g/mol
LogP1.17
Rot. Bonds

About 3-(4-fluorophenyl)prop-2-yn-1-ol

3-(4-fluorophenyl)prop-2-yn-1-ol (PubChem CID 2782698) has the molecular formula C9H7FO and a molecular weight of 150.15 g/mol. Its IUPAC name is 3-(4-fluorophenyl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(4-fluorophenyl)prop-2-yn-1-ol
PubChem CID2782698
Molecular FormulaC9H7FO
Molecular Weight150.15 g/mol
Exact Mass150.05
IUPAC Name3-(4-fluorophenyl)prop-2-yn-1-ol
SMILESOCC#Cc1ccc(F)cc1
InChIInChI=1S/C9H7FO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7H2
InChIKeyZROXSIPANMVWHB-UHFFFAOYSA-N
XLogP1.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 51.17
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

ethane;3-(4-fluorophenyl)prop-2-yn-1-ol
CID 163382607
3-(4-aminophenyl)prop-2-yn-1-ol
CID 23345652
1,4-bis[2-(4-fluorophenyl)ethynyl]benzene
CID 4677208
3-[4-(difluoromethyl)phenyl]prop-2-yn-1-ol
CID 169484888
3-[4-(2-fluorophenoxy)phenyl]prop-2-yn-1-ol
CID 54137190
4-(4-fluorophenyl)but-3-yn-1-amine
CID 116641342
4-(3-hydroxyprop-1-ynyl)benzoic acid
CID 5201737
3-[4-(methylamino)phenyl]prop-2-yn-1-ol
CID 22986794
3-[12-(4-fluorophenyl)dodec-11-ynylsulfanyl]propan-1-ol
CID 162744328
3-[4-(aminomethyl)-3-fluorophenyl]prop-2-yn-1-ol
CID 169485026
1-fluoro-4-(2-fluoroethynyl)benzene
CID 69171981
4-(3-hydroxyprop-1-ynyl)benzene-1,2-diol
CID 169484709

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)prop-2-yn-1-ol?
The IUPAC name of 3-(4-fluorophenyl)prop-2-yn-1-ol (CID 2782698) is 3-(4-fluorophenyl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(4-fluorophenyl)prop-2-yn-1-ol?
The canonical SMILES for 3-(4-fluorophenyl)prop-2-yn-1-ol is OCC#Cc1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)prop-2-yn-1-ol?
The InChIKey is ZROXSIPANMVWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO/c10-9-5-3-8(4-6-9)2-1-7-11/h3-6,11H,7H2.
What are the key properties of 3-(4-fluorophenyl)prop-2-yn-1-ol?
3-(4-fluorophenyl)prop-2-yn-1-ol has a molecular weight of 150.15 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)prop-2-yn-1-ol is sourced from PubChem (CID 2782698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).