1-(3-chlorothiophen-2-yl)-1-fluoro-2-methylpropan-2-amine

C8H11ClFNS — CID 130589518

IUPAC1-(3-chlorothiophen-2-yl)-1-fluoro-2-methylpropan-2-amine
SMILESCC(C)(N)C(F)c1sccc1Cl
InChIInChI=1S/C8H11ClFNS/c1-8(2,11)7(10)6-5(9)3-4-12-6/h3-4,7H,11H2,1-2H3
InChIKeyZQGWTNDUCLLWAX-UHFFFAOYSA-N
MW207.70 g/mol
LogP3.15
Rot. Bonds2

About 1-(3-chlorothiophen-2-yl)-1-fluoro-2-methylpropan-2-amine

1-(3-chlorothiophen-2-yl)-1-fluoro-2-methylpropan-2-amine (PubChem CID 130589518) has the molecular formula C8H11ClFNS and a molecular weight of 207.70 g/mol. Its IUPAC name is 1-(3-chlorothiophen-2-yl)-1-fluoro-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(3-chlorothiophen-2-yl)-1-fluoro-2-methylpropan-2-amine
PubChem CID130589518
Molecular FormulaC8H11ClFNS
Molecular Weight207.70 g/mol
Exact Mass207.03
IUPAC Name1-(3-chlorothiophen-2-yl)-1-fluoro-2-methylpropan-2-amine
SMILESCC(C)(N)C(F)c1sccc1Cl
InChIInChI=1S/C8H11ClFNS/c1-8(2,11)7(10)6-5(9)3-4-12-6/h3-4,7H,11H2,1-2H3
InChIKeyZQGWTNDUCLLWAX-UHFFFAOYSA-N
XLogP3.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorothiophen-2-yl)-1-fluoro-2-methylpropan-2-amine?
The IUPAC name of 1-(3-chlorothiophen-2-yl)-1-fluoro-2-methylpropan-2-amine (CID 130589518) is 1-(3-chlorothiophen-2-yl)-1-fluoro-2-methylpropan-2-amine.
What is the SMILES notation for 1-(3-chlorothiophen-2-yl)-1-fluoro-2-methylpropan-2-amine?
The canonical SMILES for 1-(3-chlorothiophen-2-yl)-1-fluoro-2-methylpropan-2-amine is CC(C)(N)C(F)c1sccc1Cl.
What is the InChIKey of 1-(3-chlorothiophen-2-yl)-1-fluoro-2-methylpropan-2-amine?
The InChIKey is ZQGWTNDUCLLWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClFNS/c1-8(2,11)7(10)6-5(9)3-4-12-6/h3-4,7H,11H2,1-2H3.
What are the key properties of 1-(3-chlorothiophen-2-yl)-1-fluoro-2-methylpropan-2-amine?
1-(3-chlorothiophen-2-yl)-1-fluoro-2-methylpropan-2-amine has a molecular weight of 207.70 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorothiophen-2-yl)-1-fluoro-2-methylpropan-2-amine is sourced from PubChem (CID 130589518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).