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

C9H11ClF3NS — CID 102976664

IUPACN-[1-(5-chlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(NCCC(F)(F)F)c1csc(Cl)c1
InChIInChI=1S/C9H11ClF3NS/c1-6(7-4-8(10)15-5-7)14-3-2-9(11,12)13/h4-6,14H,2-3H2,1H3
InChIKeyNNVIWKDHNUREKF-UHFFFAOYSA-N
MW257.71 g/mol
LogP4.00
Rot. Bonds4

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

N-[1-(5-chlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 102976664) has the molecular formula C9H11ClF3NS and a molecular weight of 257.71 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID102976664
Molecular FormulaC9H11ClF3NS
Molecular Weight257.71 g/mol
Exact Mass257.03
IUPAC NameN-[1-(5-chlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(NCCC(F)(F)F)c1csc(Cl)c1
InChIInChI=1S/C9H11ClF3NS/c1-6(7-4-8(10)15-5-7)14-3-2-9(11,12)13/h4-6,14H,2-3H2,1H3
InChIKeyNNVIWKDHNUREKF-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-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[1-(5-chlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine (CID 102976664) is N-[1-(5-chlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine is CC(NCCC(F)(F)F)c1csc(Cl)c1.
What is the InChIKey of N-[1-(5-chlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is NNVIWKDHNUREKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NS/c1-6(7-4-8(10)15-5-7)14-3-2-9(11,12)13/h4-6,14H,2-3H2,1H3.
What are the key properties of N-[1-(5-chlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
N-[1-(5-chlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-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-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 102976664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).