3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid

C7H5BrF2O2S — CID 165463784

IUPAC3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)Cc1sccc1Br
InChIInChI=1S/C7H5BrF2O2S/c8-4-1-2-13-5(4)3-7(9,10)6(11)12/h1-2H,3H2,(H,11,12)
InChIKeyIPEUGEGCARTVEN-UHFFFAOYSA-N
MW271.08 g/mol
LogP2.77
Rot. Bonds3

About 3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid

3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid (PubChem CID 165463784) has the molecular formula C7H5BrF2O2S and a molecular weight of 271.08 g/mol. Its IUPAC name is 3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid.

Molecular Properties

Compound Name3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid
PubChem CID165463784
Molecular FormulaC7H5BrF2O2S
Molecular Weight271.08 g/mol
Exact Mass269.92
IUPAC Name3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid
SMILESO=C(O)C(F)(F)Cc1sccc1Br
InChIInChI=1S/C7H5BrF2O2S/c8-4-1-2-13-5(4)3-7(9,10)6(11)12/h1-2H,3H2,(H,11,12)
InChIKeyIPEUGEGCARTVEN-UHFFFAOYSA-N
XLogP2.77
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.08
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-bromothiophen-2-yl)-2,2-dimethylbutanoic acid
CID 80535683
1-(3-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-one
CID 79954901
1-(3-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312488
5-(3-bromothiophen-2-yl)-4,4-dimethylpentan-2-one
CID 64717184
2-[(3-bromothiophen-2-yl)methyl]-2-methylpropane-1,3-diol
CID 79450444
3-amino-1-(3-bromothiophen-2-yl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116593076
diethyl 2-[(3-bromothiophen-2-yl)methyl]-2-methylpropanedioate
CID 103972608
1-(3-bromothiophen-2-yl)-2-phenylpropan-2-ol
CID 65147917
1-(3-bromothiophen-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-one
CID 103146926
1-(3-bromothiophen-2-yl)-3,3-dimethylbutan-2-one
CID 62620042
2-[(3-bromothiophen-2-yl)methyl]-2-ethoxycarbonyl-4-methylpentanoic acid
CID 103974028
2-[(3-bromothiophen-2-yl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566956

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid?
The IUPAC name of 3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid (CID 165463784) is 3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid.
What is the SMILES notation for 3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid?
The canonical SMILES for 3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid is O=C(O)C(F)(F)Cc1sccc1Br.
What is the InChIKey of 3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid?
The InChIKey is IPEUGEGCARTVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2O2S/c8-4-1-2-13-5(4)3-7(9,10)6(11)12/h1-2H,3H2,(H,11,12).
What are the key properties of 3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid?
3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid has a molecular weight of 271.08 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromothiophen-2-yl)-2,2-difluoropropanoic acid is sourced from PubChem (CID 165463784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).