N-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate

C9H14F3N2O3- — CID 53249924

IUPACN-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
SMILESCC(C)(C)N(CCNC(=O)C(F)(F)F)C(=O)[O-]
InChIInChI=1S/C9H15F3N2O3/c1-8(2,3)14(7(16)17)5-4-13-6(15)9(10,11)12/h4-5H2,1-3H3,(H,13,15)(H,16,17)/p-1
InChIKeyVIGUYOVXEZFPDM-UHFFFAOYSA-M
MW255.22 g/mol
LogP0.11
Rot. Bonds3

About N-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate

N-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate (PubChem CID 53249924) has the molecular formula C9H14F3N2O3- and a molecular weight of 255.22 g/mol. Its IUPAC name is N-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate.

Molecular Properties

Compound NameN-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
PubChem CID53249924
Molecular FormulaC9H14F3N2O3-
Molecular Weight255.22 g/mol
Exact Mass255.10
IUPAC NameN-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
SMILESCC(C)(C)N(CCNC(=O)C(F)(F)F)C(=O)[O-]
InChIInChI=1S/C9H15F3N2O3/c1-8(2,3)14(7(16)17)5-4-13-6(15)9(10,11)12/h4-5H2,1-3H3,(H,13,15)(H,16,17)/p-1
InChIKeyVIGUYOVXEZFPDM-UHFFFAOYSA-M
XLogP0.11
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
The IUPAC name of N-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate (CID 53249924) is N-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate.
What is the SMILES notation for N-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
The canonical SMILES for N-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate is CC(C)(C)N(CCNC(=O)C(F)(F)F)C(=O)[O-].
What is the InChIKey of N-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
The InChIKey is VIGUYOVXEZFPDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H15F3N2O3/c1-8(2,3)14(7(16)17)5-4-13-6(15)9(10,11)12/h4-5H2,1-3H3,(H,13,15)(H,16,17)/p-1.
What are the key properties of N-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
N-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate has a molecular weight of 255.22 g/mol, XLogP of 0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate is sourced from PubChem (CID 53249924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).