1-(4-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine

C9H8BrF6NS — CID 103311877

IUPAC1-(4-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
SMILESNC(Cc1cc(Br)cs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8BrF6NS/c10-4-1-5(18-3-4)2-6(17)7(8(11,12)13)9(14,15)16/h1,3,6-7H,2,17H2
InChIKeyFLKQFZSSHHGIOH-UHFFFAOYSA-N
MW356.13 g/mol
LogP4.12
Rot. Bonds3

About 1-(4-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine

1-(4-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine (PubChem CID 103311877) has the molecular formula C9H8BrF6NS and a molecular weight of 356.13 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
PubChem CID103311877
Molecular FormulaC9H8BrF6NS
Molecular Weight356.13 g/mol
Exact Mass354.95
IUPAC Name1-(4-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
SMILESNC(Cc1cc(Br)cs1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8BrF6NS/c10-4-1-5(18-3-4)2-6(17)7(8(11,12)13)9(14,15)16/h1,3,6-7H,2,17H2
InChIKeyFLKQFZSSHHGIOH-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.13
LogP ≤ 54.12
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)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine (CID 103311877) is 1-(4-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine is NC(Cc1cc(Br)cs1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
The InChIKey is FLKQFZSSHHGIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF6NS/c10-4-1-5(18-3-4)2-6(17)7(8(11,12)13)9(14,15)16/h1,3,6-7H,2,17H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine?
1-(4-bromothiophen-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine has a molecular weight of 356.13 g/mol, XLogP of 4.12, 3 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)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103311877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).