1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine

C10H13ClF3NS — CID 43497053

IUPAC1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClF3NS/c1-2-5-15-7(6-10(12,13)14)8-3-4-9(11)16-8/h3-4,7,15H,2,5-6H2,1H3
InChIKeyHSQVWDYIUJXUGY-UHFFFAOYSA-N
MW271.74 g/mol
LogP4.39
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine

1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine (PubChem CID 43497053) has the molecular formula C10H13ClF3NS and a molecular weight of 271.74 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
PubChem CID43497053
Molecular FormulaC10H13ClF3NS
Molecular Weight271.74 g/mol
Exact Mass271.04
IUPAC Name1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1ccc(Cl)s1
InChIInChI=1S/C10H13ClF3NS/c1-2-5-15-7(6-10(12,13)14)8-3-4-9(11)16-8/h3-4,7,15H,2,5-6H2,1H3
InChIKeyHSQVWDYIUJXUGY-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.74
LogP ≤ 54.39
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)-3,3,3-trifluoro-N-propylpropan-1-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine (CID 43497053) is 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
The InChIKey is HSQVWDYIUJXUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NS/c1-2-5-15-7(6-10(12,13)14)8-3-4-9(11)16-8/h3-4,7,15H,2,5-6H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine?
1-(5-chlorothiophen-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine has a molecular weight of 271.74 g/mol, XLogP of 4.39, 5 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)-3,3,3-trifluoro-N-propylpropan-1-amine is sourced from PubChem (CID 43497053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).