N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine

C9H10Cl2F3NS — CID 115727220

IUPACN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(NCCC(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H10Cl2F3NS/c1-5(15-3-2-9(12,13)14)6-4-7(10)16-8(6)11/h4-5,15H,2-3H2,1H3
InChIKeyJASGUDGNOKHLPY-UHFFFAOYSA-N
MW292.15 g/mol
LogP4.66
Rot. Bonds4

About N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine

N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine (PubChem CID 115727220) has the molecular formula C9H10Cl2F3NS and a molecular weight of 292.15 g/mol. Its IUPAC name is N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine
PubChem CID115727220
Molecular FormulaC9H10Cl2F3NS
Molecular Weight292.15 g/mol
Exact Mass290.99
IUPAC NameN-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine
SMILESCC(NCCC(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H10Cl2F3NS/c1-5(15-3-2-9(12,13)14)6-4-7(10)16-8(6)11/h4-5,15H,2-3H2,1H3
InChIKeyJASGUDGNOKHLPY-UHFFFAOYSA-N
XLogP4.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.15
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
The IUPAC name of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine (CID 115727220) is N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine is CC(NCCC(F)(F)F)c1cc(Cl)sc1Cl.
What is the InChIKey of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
The InChIKey is JASGUDGNOKHLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2F3NS/c1-5(15-3-2-9(12,13)14)6-4-7(10)16-8(6)11/h4-5,15H,2-3H2,1H3.
What are the key properties of N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine?
N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine has a molecular weight of 292.15 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dichlorothiophen-3-yl)ethyl]-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 115727220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).