1-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-yn-1-one

C19H11FOS — CID 18175536

IUPAC1-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-yn-1-one
SMILESO=C(C#Cc1cccs1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H11FOS/c20-17-9-7-15(8-10-17)14-3-5-16(6-4-14)19(21)12-11-18-2-1-13-22-18/h1-10,13H
InChIKeyNGAYHANSQTZEES-UHFFFAOYSA-N
MW306.36 g/mol
LogP4.79
Rot. Bonds2

About 1-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-yn-1-one

1-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-yn-1-one (PubChem CID 18175536) has the molecular formula C19H11FOS and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-yn-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-yn-1-one
PubChem CID18175536
Molecular FormulaC19H11FOS
Molecular Weight306.36 g/mol
Exact Mass306.05
IUPAC Name1-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-yn-1-one
SMILESO=C(C#Cc1cccs1)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H11FOS/c20-17-9-7-15(8-10-17)14-3-5-16(6-4-14)19(21)12-11-18-2-1-13-22-18/h1-10,13H
InChIKeyNGAYHANSQTZEES-UHFFFAOYSA-N
XLogP4.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylphenyl)-3-thiophen-2-ylprop-2-yn-1-one
CID 18175426
3-[5-(4-fluorophenyl)-1H-pyrrol-2-yl]-1-thiophen-2-ylprop-2-yn-1-one
CID 134849442
[2-(3-thiophen-2-ylprop-2-ynoyl)phenyl] acetate
CID 154710574
2,2-difluoro-1-(4-fluorophenyl)-2-thiophen-2-ylethanone
CID 10538975
europium;1-(4-fluorophenyl)-3-thiophen-2-ylpropane-1,3-dione
CID 157335642
1-(4-ethoxyphenyl)-3-(4-fluorophenyl)prop-2-yn-1-one
CID 11380154
but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone
CID 157412429
1-(4-fluorophenyl)-3-(4-methylpiperazin-1-yl)prop-2-yn-1-one
CID 116825867
4-[4-(4-fluorobenzoyl)phenyl]benzaldehyde
CID 175444205
[[4-(4-fluorophenyl)benzoyl]amino]urea
CID 23433295
4-(4-thiophen-2-ylphenyl)benzoic acid
CID 53472759
(3S)-3-(benzenesulfonyl)-1-(4-fluorophenyl)-3-thiophen-2-ylpropan-1-one
CID 1129019

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-yn-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-yn-1-one (CID 18175536) is 1-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-yn-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-yn-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-yn-1-one is O=C(C#Cc1cccs1)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-yn-1-one?
The InChIKey is NGAYHANSQTZEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FOS/c20-17-9-7-15(8-10-17)14-3-5-16(6-4-14)19(21)12-11-18-2-1-13-22-18/h1-10,13H.
What are the key properties of 1-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-yn-1-one?
1-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-yn-1-one has a molecular weight of 306.36 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-ylprop-2-yn-1-one is sourced from PubChem (CID 18175536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).