2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate

C10H19F3N2O2 — CID 65168600

IUPAC2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate
SMILESCC(C)C(CNC(=O)OCC(F)(F)F)N(C)C
InChIInChI=1S/C10H19F3N2O2/c1-7(2)8(15(3)4)5-14-9(16)17-6-10(11,12)13/h7-8H,5-6H2,1-4H3,(H,14,16)
InChIKeySEZBITHBYAYHMG-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.86
Rot. Bonds5

About 2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate

2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate (PubChem CID 65168600) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate
PubChem CID65168600
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate
SMILESCC(C)C(CNC(=O)OCC(F)(F)F)N(C)C
InChIInChI=1S/C10H19F3N2O2/c1-7(2)8(15(3)4)5-14-9(16)17-6-10(11,12)13/h7-8H,5-6H2,1-4H3,(H,14,16)
InChIKeySEZBITHBYAYHMG-UHFFFAOYSA-N
XLogP1.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[2-(dimethylamino)propyl]carbamate
CID 60858888
2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate
CID 102701054
2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate
CID 113230410
2,2,2-trifluoroethyl N-(4-methylpentyl)carbamate
CID 23060469
2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate
CID 104705190
2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide
CID 79805016
2,2,2-trifluoroethyl N-[3-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-3-oxopropyl]carbamate
CID 95581913
2,2,2-trifluoroethyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 61382490
2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate
CID 142714214
methyl 3-methyl-2-(2,2,2-trifluoroethoxycarbonylamino)butanoate
CID 65168435
2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate
CID 60705940
2,2,2-trifluoroethyl N-methoxycarbamate
CID 65168313

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate (CID 65168600) is 2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate is CC(C)C(CNC(=O)OCC(F)(F)F)N(C)C.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate?
The InChIKey is SEZBITHBYAYHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-7(2)8(15(3)4)5-14-9(16)17-6-10(11,12)13/h7-8H,5-6H2,1-4H3,(H,14,16).
What are the key properties of 2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate?
2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate has a molecular weight of 256.27 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate is sourced from PubChem (CID 65168600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).