1-(4-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-amine

C9H11BrF3NS — CID 79954917

IUPAC1-(4-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-amine
SMILESNC(CCC(F)(F)F)Cc1cc(Br)cs1
InChIInChI=1S/C9H11BrF3NS/c10-6-3-8(15-5-6)4-7(14)1-2-9(11,12)13/h3,5,7H,1-2,4,14H2
InChIKeyHAZXWNOUVQMCME-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.72
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-amine

1-(4-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-amine (PubChem CID 79954917) has the molecular formula C9H11BrF3NS and a molecular weight of 302.16 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-amine
PubChem CID79954917
Molecular FormulaC9H11BrF3NS
Molecular Weight302.16 g/mol
Exact Mass300.97
IUPAC Name1-(4-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-amine
SMILESNC(CCC(F)(F)F)Cc1cc(Br)cs1
InChIInChI=1S/C9H11BrF3NS/c10-6-3-8(15-5-6)4-7(14)1-2-9(11,12)13/h3,5,7H,1-2,4,14H2
InChIKeyHAZXWNOUVQMCME-UHFFFAOYSA-N
XLogP3.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-amine (CID 79954917) is 1-(4-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-amine is NC(CCC(F)(F)F)Cc1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-amine?
The InChIKey is HAZXWNOUVQMCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrF3NS/c10-6-3-8(15-5-6)4-7(14)1-2-9(11,12)13/h3,5,7H,1-2,4,14H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-amine?
1-(4-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-amine has a molecular weight of 302.16 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 79954917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).