1-bromo-2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol

C7H6BrClF2OS — CID 107140535

IUPAC1-bromo-2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol
SMILESCC(O)(c1ccc(Cl)s1)C(F)(F)Br
InChIInChI=1S/C7H6BrClF2OS/c1-6(12,7(8,10)11)4-2-3-5(9)13-4/h2-3,12H,1H3
InChIKeyBUHDKLCUCFVNQU-UHFFFAOYSA-N
MW291.54 g/mol
LogP3.60
Rot. Bonds2

About 1-bromo-2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol

1-bromo-2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol (PubChem CID 107140535) has the molecular formula C7H6BrClF2OS and a molecular weight of 291.54 g/mol. Its IUPAC name is 1-bromo-2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name1-bromo-2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol
PubChem CID107140535
Molecular FormulaC7H6BrClF2OS
Molecular Weight291.54 g/mol
Exact Mass289.90
IUPAC Name1-bromo-2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol
SMILESCC(O)(c1ccc(Cl)s1)C(F)(F)Br
InChIInChI=1S/C7H6BrClF2OS/c1-6(12,7(8,10)11)4-2-3-5(9)13-4/h2-3,12H,1H3
InChIKeyBUHDKLCUCFVNQU-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Chloro-alpha,alpha-dimethyl-2-thiophenemethanol
CID 79001600
1-(5-Chlorothiophen-2-yl)-2,2,2-trifluoroethan-1-ol
CID 61088541
2-(5-Chlorothiophen-2-yl)-1,1,1-trifluoropropan-2-ol
CID 61645220
2-(5-Bromothiophen-2-yl)-1,1,1-trifluoropropan-2-ol
CID 61645262
1-(5-Bromo-4-chlorothiophen-2-yl)-2,2,2-trifluoroethanol
CID 80532201
1-(5-Bromo-4-chlorothiophen-2-yl)-3,3,3-trifluoropropan-1-ol
CID 80533548
1-(5-Chlorothiophen-2-yl)-2,2-difluoroethan-1-ol
CID 80604626
2-(5-Bromothiophen-2-yl)-1,1-difluoropropan-2-ol
CID 80604651
2-(5-Chlorothiophen-2-yl)-1,1-difluoropropan-2-ol
CID 80605123
2-(5-Chlorothiophen-2-yl)-1,1,1-trifluorobutan-2-ol
CID 83958283
1-(5-Chloro-4-methylthiophen-2-yl)-2,2,2-trifluoroethanol
CID 102764423
1-(5-Chloro-4-methylthiophen-2-yl)-2,2-difluoroethanol
CID 102764454

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol?
The IUPAC name of 1-bromo-2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol (CID 107140535) is 1-bromo-2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 1-bromo-2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol?
The canonical SMILES for 1-bromo-2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol is CC(O)(c1ccc(Cl)s1)C(F)(F)Br.
What is the InChIKey of 1-bromo-2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol?
The InChIKey is BUHDKLCUCFVNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrClF2OS/c1-6(12,7(8,10)11)4-2-3-5(9)13-4/h2-3,12H,1H3.
What are the key properties of 1-bromo-2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol?
1-bromo-2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol has a molecular weight of 291.54 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(5-chlorothiophen-2-yl)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 107140535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).