N-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine

C9H11ClF3NS — CID 43496959

IUPACN-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)s1)C(F)(F)F
InChIInChI=1S/C9H11ClF3NS/c1-2-5-14-8(9(11,12)13)6-3-4-7(10)15-6/h3-4,8,14H,2,5H2,1H3
InChIKeyBDBLEUNAKOUFLL-UHFFFAOYSA-N
MW257.71 g/mol
LogP4.00
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine

N-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine (PubChem CID 43496959) has the molecular formula C9H11ClF3NS and a molecular weight of 257.71 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
PubChem CID43496959
Molecular FormulaC9H11ClF3NS
Molecular Weight257.71 g/mol
Exact Mass257.03
IUPAC NameN-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)s1)C(F)(F)F
InChIInChI=1S/C9H11ClF3NS/c1-2-5-14-8(9(11,12)13)6-3-4-7(10)15-6/h3-4,8,14H,2,5H2,1H3
InChIKeyBDBLEUNAKOUFLL-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine (CID 43496959) is N-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine is CCCNC(c1ccc(Cl)s1)C(F)(F)F.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine?
The InChIKey is BDBLEUNAKOUFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NS/c1-2-5-14-8(9(11,12)13)6-3-4-7(10)15-6/h3-4,8,14H,2,5H2,1H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine?
N-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine has a molecular weight of 257.71 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)-2,2,2-trifluoroethyl]propan-1-amine is sourced from PubChem (CID 43496959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).