N-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine

C11H15ClF3NS — CID 102976736

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine
SMILESCC(NCCCCC(F)(F)F)c1csc(Cl)c1
InChIInChI=1S/C11H15ClF3NS/c1-8(9-6-10(12)17-7-9)16-5-3-2-4-11(13,14)15/h6-8,16H,2-5H2,1H3
InChIKeyFYUBXNMEQFTQHS-UHFFFAOYSA-N
MW285.76 g/mol
LogP4.78
Rot. Bonds6

About N-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine

N-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine (PubChem CID 102976736) has the molecular formula C11H15ClF3NS and a molecular weight of 285.76 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine
PubChem CID102976736
Molecular FormulaC11H15ClF3NS
Molecular Weight285.76 g/mol
Exact Mass285.06
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine
SMILESCC(NCCCCC(F)(F)F)c1csc(Cl)c1
InChIInChI=1S/C11H15ClF3NS/c1-8(9-6-10(12)17-7-9)16-5-3-2-4-11(13,14)15/h6-8,16H,2-5H2,1H3
InChIKeyFYUBXNMEQFTQHS-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.76
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine (CID 102976736) is N-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine is CC(NCCCCC(F)(F)F)c1csc(Cl)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine?
The InChIKey is FYUBXNMEQFTQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3NS/c1-8(9-6-10(12)17-7-9)16-5-3-2-4-11(13,14)15/h6-8,16H,2-5H2,1H3.
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine?
N-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine has a molecular weight of 285.76 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-3-yl)ethyl]-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 102976736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).