1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine

C9H11ClF3NS — CID 62605353

IUPAC1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
SMILESCNC(Cc1ccc(Cl)s1)CC(F)(F)F
InChIInChI=1S/C9H11ClF3NS/c1-14-6(5-9(11,12)13)4-7-2-3-8(10)15-7/h2-3,6,14H,4-5H2,1H3
InChIKeyMZMDDLQPLNYUQD-UHFFFAOYSA-N
MW257.71 g/mol
LogP3.48
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine

1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine (PubChem CID 62605353) has the molecular formula C9H11ClF3NS and a molecular weight of 257.71 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
PubChem CID62605353
Molecular FormulaC9H11ClF3NS
Molecular Weight257.71 g/mol
Exact Mass257.03
IUPAC Name1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
SMILESCNC(Cc1ccc(Cl)s1)CC(F)(F)F
InChIInChI=1S/C9H11ClF3NS/c1-14-6(5-9(11,12)13)4-7-2-3-8(10)15-7/h2-3,6,14H,4-5H2,1H3
InChIKeyMZMDDLQPLNYUQD-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.71
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine (CID 62605353) is 1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine is CNC(Cc1ccc(Cl)s1)CC(F)(F)F.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine?
The InChIKey is MZMDDLQPLNYUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NS/c1-14-6(5-9(11,12)13)4-7-2-3-8(10)15-7/h2-3,6,14H,4-5H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine?
1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine has a molecular weight of 257.71 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-methylbutan-2-amine is sourced from PubChem (CID 62605353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).