1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one

C13H10BrFOS — CID 62621544

IUPAC1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one
SMILESO=C(Cc1cccc(F)c1)Cc1ccc(Br)s1
InChIInChI=1S/C13H10BrFOS/c14-13-5-4-12(17-13)8-11(16)7-9-2-1-3-10(15)6-9/h1-6H,7-8H2
InChIKeyXPVVQCVQCONXID-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.00
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one

1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one (PubChem CID 62621544) has the molecular formula C13H10BrFOS and a molecular weight of 313.19 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one
PubChem CID62621544
Molecular FormulaC13H10BrFOS
Molecular Weight313.19 g/mol
Exact Mass311.96
IUPAC Name1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one
SMILESO=C(Cc1cccc(F)c1)Cc1ccc(Br)s1
InChIInChI=1S/C13H10BrFOS/c14-13-5-4-12(17-13)8-11(16)7-9-2-1-3-10(15)6-9/h1-6H,7-8H2
InChIKeyXPVVQCVQCONXID-UHFFFAOYSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)ethanone
CID 61078975
1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 62621730
N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43114066
1-(3-fluorophenyl)-3-hydroxypropan-2-one
CID 70264927
1-(4-chlorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 39362692
1-(2-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 61219534
1-[(5-bromothiophen-2-yl)methyl]-3-[(3-fluorophenyl)methyl]-2-methylguanidine
CID 111875839
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
1-[2-(aminomethyl)phenyl]-3-(3-fluorophenyl)propan-2-one
CID 116595869
1-(4-tert-butylphenyl)-3-(3-fluorophenyl)propan-2-one
CID 63409516
1-(3-fluorophenyl)-4-methylhexan-2-one
CID 62622297
3-(3-fluorophenyl)-2-oxopropane-1-sulfonic acid
CID 115038716

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one?
The IUPAC name of 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one (CID 62621544) is 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one is O=C(Cc1cccc(F)c1)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one?
The InChIKey is XPVVQCVQCONXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFOS/c14-13-5-4-12(17-13)8-11(16)7-9-2-1-3-10(15)6-9/h1-6H,7-8H2.
What are the key properties of 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one?
1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one has a molecular weight of 313.19 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-3-(3-fluorophenyl)propan-2-one is sourced from PubChem (CID 62621544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).