N-[1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine

C9H10Br2F3NS — CID 43497845

IUPACN-[1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine
SMILESCCCNC(c1cc(Br)sc1Br)C(F)(F)F
InChIInChI=1S/C9H10Br2F3NS/c1-2-3-15-7(9(12,13)14)5-4-6(10)16-8(5)11/h4,7,15H,2-3H2,1H3
InChIKeyICAMVUUHOYAHOW-UHFFFAOYSA-N
MW381.06 g/mol
LogP4.88
Rot. Bonds4

About N-[1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine

N-[1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine (PubChem CID 43497845) has the molecular formula C9H10Br2F3NS and a molecular weight of 381.06 g/mol. Its IUPAC name is N-[1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine
PubChem CID43497845
Molecular FormulaC9H10Br2F3NS
Molecular Weight381.06 g/mol
Exact Mass378.89
IUPAC NameN-[1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine
SMILESCCCNC(c1cc(Br)sc1Br)C(F)(F)F
InChIInChI=1S/C9H10Br2F3NS/c1-2-3-15-7(9(12,13)14)5-4-6(10)16-8(5)11/h4,7,15H,2-3H2,1H3
InChIKeyICAMVUUHOYAHOW-UHFFFAOYSA-N
XLogP4.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.06
LogP ≤ 54.88
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-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine?
The IUPAC name of N-[1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine (CID 43497845) is N-[1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine is CCCNC(c1cc(Br)sc1Br)C(F)(F)F.
What is the InChIKey of N-[1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine?
The InChIKey is ICAMVUUHOYAHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Br2F3NS/c1-2-3-15-7(9(12,13)14)5-4-6(10)16-8(5)11/h4,7,15H,2-3H2,1H3.
What are the key properties of N-[1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine?
N-[1-(2,5-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine has a molecular weight of 381.06 g/mol, XLogP of 4.88, 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-dibromothiophen-3-yl)-2,2,2-trifluoroethyl]propan-1-amine is sourced from PubChem (CID 43497845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).