4-(5-chlorothiophen-2-yl)-3-fluoro-2-methylbutan-2-amine

C9H13ClFNS — CID 130589400

IUPAC4-(5-chlorothiophen-2-yl)-3-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)C(F)Cc1ccc(Cl)s1
InChIInChI=1S/C9H13ClFNS/c1-9(2,12)7(11)5-6-3-4-8(10)13-6/h3-4,7H,5,12H2,1-2H3
InChIKeyDWNIVTZNYYUFEW-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.02
Rot. Bonds3

About 4-(5-chlorothiophen-2-yl)-3-fluoro-2-methylbutan-2-amine

4-(5-chlorothiophen-2-yl)-3-fluoro-2-methylbutan-2-amine (PubChem CID 130589400) has the molecular formula C9H13ClFNS and a molecular weight of 221.73 g/mol. Its IUPAC name is 4-(5-chlorothiophen-2-yl)-3-fluoro-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(5-chlorothiophen-2-yl)-3-fluoro-2-methylbutan-2-amine
PubChem CID130589400
Molecular FormulaC9H13ClFNS
Molecular Weight221.73 g/mol
Exact Mass221.04
IUPAC Name4-(5-chlorothiophen-2-yl)-3-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)C(F)Cc1ccc(Cl)s1
InChIInChI=1S/C9H13ClFNS/c1-9(2,12)7(11)5-6-3-4-8(10)13-6/h3-4,7H,5,12H2,1-2H3
InChIKeyDWNIVTZNYYUFEW-UHFFFAOYSA-N
XLogP3.02
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorothiophen-2-yl)-3-fluoro-2-methylbutan-2-amine?
The IUPAC name of 4-(5-chlorothiophen-2-yl)-3-fluoro-2-methylbutan-2-amine (CID 130589400) is 4-(5-chlorothiophen-2-yl)-3-fluoro-2-methylbutan-2-amine.
What is the SMILES notation for 4-(5-chlorothiophen-2-yl)-3-fluoro-2-methylbutan-2-amine?
The canonical SMILES for 4-(5-chlorothiophen-2-yl)-3-fluoro-2-methylbutan-2-amine is CC(C)(N)C(F)Cc1ccc(Cl)s1.
What is the InChIKey of 4-(5-chlorothiophen-2-yl)-3-fluoro-2-methylbutan-2-amine?
The InChIKey is DWNIVTZNYYUFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClFNS/c1-9(2,12)7(11)5-6-3-4-8(10)13-6/h3-4,7H,5,12H2,1-2H3.
What are the key properties of 4-(5-chlorothiophen-2-yl)-3-fluoro-2-methylbutan-2-amine?
4-(5-chlorothiophen-2-yl)-3-fluoro-2-methylbutan-2-amine has a molecular weight of 221.73 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorothiophen-2-yl)-3-fluoro-2-methylbutan-2-amine is sourced from PubChem (CID 130589400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).