3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine

C9H12ClF2NS — CID 116839634

IUPAC3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)C(F)(F)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClF2NS/c1-8(2,5-13)9(11,12)6-3-4-7(10)14-6/h3-4H,5,13H2,1-2H3
InChIKeyAWMBJJXGAQBKHJ-UHFFFAOYSA-N
MW239.72 g/mol
LogP3.48
Rot. Bonds3

About 3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine

3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine (PubChem CID 116839634) has the molecular formula C9H12ClF2NS and a molecular weight of 239.72 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine
PubChem CID116839634
Molecular FormulaC9H12ClF2NS
Molecular Weight239.72 g/mol
Exact Mass239.03
IUPAC Name3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine
SMILESCC(C)(CN)C(F)(F)c1ccc(Cl)s1
InChIInChI=1S/C9H12ClF2NS/c1-8(2,5-13)9(11,12)6-3-4-7(10)14-6/h3-4H,5,13H2,1-2H3
InChIKeyAWMBJJXGAQBKHJ-UHFFFAOYSA-N
XLogP3.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.72
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine
CID 112566303
3,3-difluoro-2,2-dimethyl-3-thiophen-2-ylpropan-1-amine
CID 116839610
N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine
CID 115226362
2-[(5-chlorothiophen-2-yl)methyl]-2-fluorobutan-1-amine
CID 112566022
3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol
CID 79838000
4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid
CID 66090953
2-chloro-5-(3-methylnonan-3-yl)thiophene
CID 139460547
3-(5-bromo-2-fluorophenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839684
2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]acetamide
CID 115260344
2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol
CID 115216508
3,3-difluoro-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-amine
CID 116839617
3-(4-tert-butyl-2-methylphenyl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839672

Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine (CID 116839634) is 3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine is CC(C)(CN)C(F)(F)c1ccc(Cl)s1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine?
The InChIKey is AWMBJJXGAQBKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClF2NS/c1-8(2,5-13)9(11,12)6-3-4-7(10)14-6/h3-4H,5,13H2,1-2H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine?
3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine has a molecular weight of 239.72 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 116839634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).