1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine

C9H11ClF3NS — CID 79952579

IUPAC1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine
SMILESNC(CCC(F)(F)F)Cc1ccc(Cl)s1
InChIInChI=1S/C9H11ClF3NS/c10-8-2-1-7(15-8)5-6(14)3-4-9(11,12)13/h1-2,6H,3-5,14H2
InChIKeySAOXSAYKICQGRT-UHFFFAOYSA-N
MW257.71 g/mol
LogP3.61
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine

1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine (PubChem CID 79952579) has the molecular formula C9H11ClF3NS and a molecular weight of 257.71 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine
PubChem CID79952579
Molecular FormulaC9H11ClF3NS
Molecular Weight257.71 g/mol
Exact Mass257.03
IUPAC Name1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine
SMILESNC(CCC(F)(F)F)Cc1ccc(Cl)s1
InChIInChI=1S/C9H11ClF3NS/c10-8-2-1-7(15-8)5-6(14)3-4-9(11,12)13/h1-2,6H,3-5,14H2
InChIKeySAOXSAYKICQGRT-UHFFFAOYSA-N
XLogP3.61
TPSA26.02 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 ≤ 53.61
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)-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine (CID 79952579) is 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine is NC(CCC(F)(F)F)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine?
The InChIKey is SAOXSAYKICQGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NS/c10-8-2-1-7(15-8)5-6(14)3-4-9(11,12)13/h1-2,6H,3-5,14H2.
What are the key properties of 1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine?
1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine has a molecular weight of 257.71 g/mol, XLogP of 3.61, 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)-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 79952579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).