N-tert-butyl-2,2,2-trifluoro-N-propan-2-ylacetamide

C9H16F3NO — CID 87957890

IUPACN-tert-butyl-2,2,2-trifluoro-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C9H16F3NO/c1-6(2)13(8(3,4)5)7(14)9(10,11)12/h6H,1-5H3
InChIKeyBSVDKGAOBFIKOB-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.58
Rot. Bonds1

About N-tert-butyl-2,2,2-trifluoro-N-propan-2-ylacetamide

N-tert-butyl-2,2,2-trifluoro-N-propan-2-ylacetamide (PubChem CID 87957890) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is N-tert-butyl-2,2,2-trifluoro-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-tert-butyl-2,2,2-trifluoro-N-propan-2-ylacetamide
PubChem CID87957890
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC NameN-tert-butyl-2,2,2-trifluoro-N-propan-2-ylacetamide
SMILESCC(C)N(C(=O)C(F)(F)F)C(C)(C)C
InChIInChI=1S/C9H16F3NO/c1-6(2)13(8(3,4)5)7(14)9(10,11)12/h6H,1-5H3
InChIKeyBSVDKGAOBFIKOB-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2,2-trifluoro-N-propan-2-ylacetamide?
The IUPAC name of N-tert-butyl-2,2,2-trifluoro-N-propan-2-ylacetamide (CID 87957890) is N-tert-butyl-2,2,2-trifluoro-N-propan-2-ylacetamide.
What is the SMILES notation for N-tert-butyl-2,2,2-trifluoro-N-propan-2-ylacetamide?
The canonical SMILES for N-tert-butyl-2,2,2-trifluoro-N-propan-2-ylacetamide is CC(C)N(C(=O)C(F)(F)F)C(C)(C)C.
What is the InChIKey of N-tert-butyl-2,2,2-trifluoro-N-propan-2-ylacetamide?
The InChIKey is BSVDKGAOBFIKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6(2)13(8(3,4)5)7(14)9(10,11)12/h6H,1-5H3.
What are the key properties of N-tert-butyl-2,2,2-trifluoro-N-propan-2-ylacetamide?
N-tert-butyl-2,2,2-trifluoro-N-propan-2-ylacetamide has a molecular weight of 211.23 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2,2-trifluoro-N-propan-2-ylacetamide is sourced from PubChem (CID 87957890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).