1-(4-bromothiophen-2-yl)hexan-2-one

C10H13BrOS — CID 79404796

IUPAC1-(4-bromothiophen-2-yl)hexan-2-one
SMILESCCCCC(=O)Cc1cc(Br)cs1
InChIInChI=1S/C10H13BrOS/c1-2-3-4-9(12)6-10-5-8(11)7-13-10/h5,7H,2-4,6H2,1H3
InChIKeyUTIRZYCBKLNMRW-UHFFFAOYSA-N
MW261.18 g/mol
LogP3.81
Rot. Bonds5

About 1-(4-bromothiophen-2-yl)hexan-2-one

1-(4-bromothiophen-2-yl)hexan-2-one (PubChem CID 79404796) has the molecular formula C10H13BrOS and a molecular weight of 261.18 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)hexan-2-one.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)hexan-2-one
PubChem CID79404796
Molecular FormulaC10H13BrOS
Molecular Weight261.18 g/mol
Exact Mass259.99
IUPAC Name1-(4-bromothiophen-2-yl)hexan-2-one
SMILESCCCCC(=O)Cc1cc(Br)cs1
InChIInChI=1S/C10H13BrOS/c1-2-3-4-9(12)6-10-5-8(11)7-13-10/h5,7H,2-4,6H2,1H3
InChIKeyUTIRZYCBKLNMRW-UHFFFAOYSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.18
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-2-yl)-4-propoxybutan-2-one
CID 105092454
1-(4-bromothiophen-2-yl)-4-methylsulfanylbutan-2-one
CID 105092529
1-(4-bromothiophen-2-yl)-4-(methylamino)butan-2-one
CID 116561191
2-(4-bromothiophen-2-yl)-N-butylacetamide
CID 110769883
1-(4-bromothiophen-2-yl)-3-(methylamino)propan-2-one
CID 116553807
1-(4-bromothiophen-2-yl)pent-4-en-2-one
CID 116659507
1-(4-bromothiophen-2-yl)-4-(cyclopropylamino)butan-2-one
CID 116559386
N-[(4-bromothiophen-2-yl)methyl]dodecanamide
CID 65426710
2-(4-bromothiophen-2-yl)-1-(4-butylcyclohexyl)ethanone
CID 114969376
1-(4-bromothiophen-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146964
1-(3-bromophenyl)-3-(4-bromothiophen-2-yl)propan-2-one
CID 62621721
1-(4-bromothiophen-2-yl)undecan-2-ol
CID 115790163

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)hexan-2-one?
The IUPAC name of 1-(4-bromothiophen-2-yl)hexan-2-one (CID 79404796) is 1-(4-bromothiophen-2-yl)hexan-2-one.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)hexan-2-one?
The canonical SMILES for 1-(4-bromothiophen-2-yl)hexan-2-one is CCCCC(=O)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)hexan-2-one?
The InChIKey is UTIRZYCBKLNMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrOS/c1-2-3-4-9(12)6-10-5-8(11)7-13-10/h5,7H,2-4,6H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)hexan-2-one?
1-(4-bromothiophen-2-yl)hexan-2-one has a molecular weight of 261.18 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)hexan-2-one is sourced from PubChem (CID 79404796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).