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

C9H13ClFNS — CID 130689832

IUPAC4-(2-chlorothiophen-3-yl)-4-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)CC(F)c1ccsc1Cl
InChIInChI=1S/C9H13ClFNS/c1-9(2,12)5-7(11)6-3-4-13-8(6)10/h3-4,7H,5,12H2,1-2H3
InChIKeyIKXGUCVVDMVOIE-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.54
Rot. Bonds3

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

4-(2-chlorothiophen-3-yl)-4-fluoro-2-methylbutan-2-amine (PubChem CID 130689832) has the molecular formula C9H13ClFNS and a molecular weight of 221.73 g/mol. Its IUPAC name is 4-(2-chlorothiophen-3-yl)-4-fluoro-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(2-chlorothiophen-3-yl)-4-fluoro-2-methylbutan-2-amine
PubChem CID130689832
Molecular FormulaC9H13ClFNS
Molecular Weight221.73 g/mol
Exact Mass221.04
IUPAC Name4-(2-chlorothiophen-3-yl)-4-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)CC(F)c1ccsc1Cl
InChIInChI=1S/C9H13ClFNS/c1-9(2,12)5-7(11)6-3-4-13-8(6)10/h3-4,7H,5,12H2,1-2H3
InChIKeyIKXGUCVVDMVOIE-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorothiophen-3-yl)-4-fluoro-2-methylbutan-2-amine?
The IUPAC name of 4-(2-chlorothiophen-3-yl)-4-fluoro-2-methylbutan-2-amine (CID 130689832) is 4-(2-chlorothiophen-3-yl)-4-fluoro-2-methylbutan-2-amine.
What is the SMILES notation for 4-(2-chlorothiophen-3-yl)-4-fluoro-2-methylbutan-2-amine?
The canonical SMILES for 4-(2-chlorothiophen-3-yl)-4-fluoro-2-methylbutan-2-amine is CC(C)(N)CC(F)c1ccsc1Cl.
What is the InChIKey of 4-(2-chlorothiophen-3-yl)-4-fluoro-2-methylbutan-2-amine?
The InChIKey is IKXGUCVVDMVOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClFNS/c1-9(2,12)5-7(11)6-3-4-13-8(6)10/h3-4,7H,5,12H2,1-2H3.
What are the key properties of 4-(2-chlorothiophen-3-yl)-4-fluoro-2-methylbutan-2-amine?
4-(2-chlorothiophen-3-yl)-4-fluoro-2-methylbutan-2-amine has a molecular weight of 221.73 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorothiophen-3-yl)-4-fluoro-2-methylbutan-2-amine is sourced from PubChem (CID 130689832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).