2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate

C10H19F3N2O2 — CID 113230410

IUPAC2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate
SMILESCCC(C)N(C)CCNC(=O)OCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-4-8(2)15(3)6-5-14-9(16)17-7-10(11,12)13/h8H,4-7H2,1-3H3,(H,14,16)
InChIKeyMSAHYTYEUKEYLG-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.01
Rot. Bonds6

About 2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate

2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate (PubChem CID 113230410) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate
PubChem CID113230410
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate
SMILESCCC(C)N(C)CCNC(=O)OCC(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-4-8(2)15(3)6-5-14-9(16)17-7-10(11,12)13/h8H,4-7H2,1-3H3,(H,14,16)
InChIKeyMSAHYTYEUKEYLG-UHFFFAOYSA-N
XLogP2.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.01
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
(2S)-2-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]propanamide
CID 103814253
2,2,2-trifluoroethyl N-(4-methylpentyl)carbamate
CID 23060469
2,2,2-trifluoroethyl N-[2-[2-(dimethylamino)ethoxy]ethyl]carbamate
CID 104705190
2,2,2-trifluoroethyl N-[2-(dimethylamino)-3-methylbutyl]carbamate
CID 65168600
2,2,2-trifluoroethyl N-[2-(N-methylanilino)ethyl]carbamate
CID 65173791
2,2,2-trifluoroethyl N-(2-ethoxyethyl)carbamate
CID 61068488
2,2,2-trifluoroethyl N-(3-propan-2-yloxypropyl)carbamate
CID 60705940
2,2,2-trifluoroethyl N-[3-[[(2S)-2-cyanopropyl]-methylamino]-3-oxopropyl]carbamate
CID 94816207
2-(aminomethyl)-N-[2-[butan-2-yl(methyl)amino]ethyl]-3-methylbutanamide
CID 107269526
2,2,2-trifluoroethyl N-(2-methoxypropyl)carbamate
CID 102701054
3-amino-N-[2-[butan-2-yl(methyl)amino]ethyl]-4-methylpentanamide
CID 107143404

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate (CID 113230410) is 2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate is CCC(C)N(C)CCNC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate?
The InChIKey is MSAHYTYEUKEYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-4-8(2)15(3)6-5-14-9(16)17-7-10(11,12)13/h8H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate?
2,2,2-trifluoroethyl N-[2-[butan-2-yl(methyl)amino]ethyl]carbamate has a molecular weight of 256.27 g/mol, XLogP of 2.01, 6 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-[butan-2-yl(methyl)amino]ethyl]carbamate is sourced from PubChem (CID 113230410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).