4,5-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

C10H10Br2F3NOS — CID 52615217

IUPAC4,5-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H10Br2F3NOS/c1-5(2)16(4-10(13,14)15)9(17)7-3-6(11)8(12)18-7/h3,5H,4H2,1-2H3
InChIKeyNAEFCVSFAYPEIQ-UHFFFAOYSA-N
MW409.07 g/mol
LogP4.69
Rot. Bonds3

About 4,5-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide

4,5-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (PubChem CID 52615217) has the molecular formula C10H10Br2F3NOS and a molecular weight of 409.07 g/mol. Its IUPAC name is 4,5-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
PubChem CID52615217
Molecular FormulaC10H10Br2F3NOS
Molecular Weight409.07 g/mol
Exact Mass406.88
IUPAC Name4,5-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
SMILESCC(C)N(CC(F)(F)F)C(=O)c1cc(Br)c(Br)s1
InChIInChI=1S/C10H10Br2F3NOS/c1-5(2)16(4-10(13,14)15)9(17)7-3-6(11)8(12)18-7/h3,5H,4H2,1-2H3
InChIKeyNAEFCVSFAYPEIQ-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.07
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide (CID 52615217) is 4,5-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is CC(C)N(CC(F)(F)F)C(=O)c1cc(Br)c(Br)s1.
What is the InChIKey of 4,5-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
The InChIKey is NAEFCVSFAYPEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2F3NOS/c1-5(2)16(4-10(13,14)15)9(17)7-3-6(11)8(12)18-7/h3,5H,4H2,1-2H3.
What are the key properties of 4,5-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide?
4,5-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide has a molecular weight of 409.07 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide is sourced from PubChem (CID 52615217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).