2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone

C11H14F3NOS — CID 55010317

IUPAC2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone
SMILESCC(C)N(CC(=O)c1cccs1)CC(F)(F)F
InChIInChI=1S/C11H14F3NOS/c1-8(2)15(7-11(12,13)14)6-9(16)10-4-3-5-17-10/h3-5,8H,6-7H2,1-2H3
InChIKeyMBUWZYDKBUCPAU-UHFFFAOYSA-N
MW265.30 g/mol
LogP3.20
Rot. Bonds5

About 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone

2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone (PubChem CID 55010317) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone
PubChem CID55010317
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone
SMILESCC(C)N(CC(=O)c1cccs1)CC(F)(F)F
InChIInChI=1S/C11H14F3NOS/c1-8(2)15(7-11(12,13)14)6-9(16)10-4-3-5-17-10/h3-5,8H,6-7H2,1-2H3
InChIKeyMBUWZYDKBUCPAU-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-oxo-2-thiophen-2-ylethyl)-propan-2-ylamino]acetamide
CID 60679972
2-[butan-2-yl(ethyl)amino]-1-thiophen-2-ylethanone
CID 43795972
2-[methyl(2-methylpropyl)amino]-1-thiophen-2-ylethanone
CID 43795696
4-[ethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
CID 43792913
2-amino-N-methyl-N-(2-oxo-2-thiophen-2-ylethyl)propanamide
CID 77144663
2-[(4-oxo-4-thiophen-2-ylbutanoyl)-propan-2-ylamino]acetic acid
CID 120580833
2-[1-methoxypropan-2-yl(methyl)amino]-1-thiophen-2-ylethanone
CID 61451901
1-thiophen-2-ylpropan-1-one
CID 26179
4,4,4-trifluoro-3-hydroxy-3-methyl-1-thiophen-2-ylbutan-1-one
CID 10922579
3-[methyl-(2-oxo-2-thiophen-2-ylethyl)amino]butanenitrile
CID 63223350
methyl 2-[[2-oxo-2-[2-(thiophene-2-carbonyl)hydrazinyl]ethyl]-propan-2-ylamino]acetate
CID 62026843
4-[cyclopropylmethyl(propan-2-yl)amino]-1-thiophen-2-ylbutan-1-one
CID 54999752

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone (CID 55010317) is 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone is CC(C)N(CC(=O)c1cccs1)CC(F)(F)F.
What is the InChIKey of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone?
The InChIKey is MBUWZYDKBUCPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c1-8(2)15(7-11(12,13)14)6-9(16)10-4-3-5-17-10/h3-5,8H,6-7H2,1-2H3.
What are the key properties of 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone?
2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone has a molecular weight of 265.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propan-2-yl(2,2,2-trifluoroethyl)amino]-1-thiophen-2-ylethanone is sourced from PubChem (CID 55010317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).