2-bromo-5-(1,1-difluoropropyl)thiophene

C7H7BrF2S — CID 116841242

IUPAC2-bromo-5-(1,1-difluoropropyl)thiophene
SMILESCCC(F)(F)c1ccc(Br)s1
InChIInChI=1S/C7H7BrF2S/c1-2-7(9,10)5-3-4-6(8)11-5/h3-4H,2H2,1H3
InChIKeyZJKNOMYYJAJMPC-UHFFFAOYSA-N
MW241.10 g/mol
LogP4.01
Rot. Bonds2

About 2-bromo-5-(1,1-difluoropropyl)thiophene

2-bromo-5-(1,1-difluoropropyl)thiophene (PubChem CID 116841242) has the molecular formula C7H7BrF2S and a molecular weight of 241.10 g/mol. Its IUPAC name is 2-bromo-5-(1,1-difluoropropyl)thiophene.

Molecular Properties

Compound Name2-bromo-5-(1,1-difluoropropyl)thiophene
PubChem CID116841242
Molecular FormulaC7H7BrF2S
Molecular Weight241.10 g/mol
Exact Mass239.94
IUPAC Name2-bromo-5-(1,1-difluoropropyl)thiophene
SMILESCCC(F)(F)c1ccc(Br)s1
InChIInChI=1S/C7H7BrF2S/c1-2-7(9,10)5-3-4-6(8)11-5/h3-4H,2H2,1H3
InChIKeyZJKNOMYYJAJMPC-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.10
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-5-(1,1-difluoroethyl)thiophene
CID 116841527
2-(5-bromothiophen-2-yl)butan-2-amine
CID 82475741
(2S)-2-(5-bromothiophen-2-yl)butan-2-amine
CID 96660698
3-(5-bromothiophen-2-yl)-3,3-difluoropropanoic acid
CID 116838346
2-[1,1-bis(5-bromothiophen-2-yl)heptyl]-5-bromothiophene
CID 86053610
2-[2-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperidine
CID 116840275
4-[(5-bromothiophen-2-yl)-difluoromethyl]aniline
CID 116840064
2-(5-bromothiophen-2-yl)-3-methylbutan-2-amine
CID 82296179
3-(5-bromothiophen-2-yl)-3-hydroxybutanoic acid
CID 82049863
ethyl 2-(5-bromothiophen-2-yl)-3,3,3-trifluoro-2-trimethylsilyloxypropanoate
CID 178130730
3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine
CID 62619965
2-(5-bromothiophen-2-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine
CID 115215289

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(1,1-difluoropropyl)thiophene?
The IUPAC name of 2-bromo-5-(1,1-difluoropropyl)thiophene (CID 116841242) is 2-bromo-5-(1,1-difluoropropyl)thiophene.
What is the SMILES notation for 2-bromo-5-(1,1-difluoropropyl)thiophene?
The canonical SMILES for 2-bromo-5-(1,1-difluoropropyl)thiophene is CCC(F)(F)c1ccc(Br)s1.
What is the InChIKey of 2-bromo-5-(1,1-difluoropropyl)thiophene?
The InChIKey is ZJKNOMYYJAJMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrF2S/c1-2-7(9,10)5-3-4-6(8)11-5/h3-4H,2H2,1H3.
What are the key properties of 2-bromo-5-(1,1-difluoropropyl)thiophene?
2-bromo-5-(1,1-difluoropropyl)thiophene has a molecular weight of 241.10 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(1,1-difluoropropyl)thiophene is sourced from PubChem (CID 116841242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).