2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate

C8H15F3N2O2 — CID 142714214

IUPAC2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate
SMILESCC(C)C(CN)NC(=O)OCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-5(2)6(3-12)13-7(14)15-4-8(9,10)11/h5-6H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyOGBFVYCMSNRCLA-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.26
Rot. Bonds4

About 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate

2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate (PubChem CID 142714214) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate
PubChem CID142714214
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate
SMILESCC(C)C(CN)NC(=O)OCC(F)(F)F
InChIInChI=1S/C8H15F3N2O2/c1-5(2)6(3-12)13-7(14)15-4-8(9,10)11/h5-6H,3-4,12H2,1-2H3,(H,13,14)
InChIKeyOGBFVYCMSNRCLA-UHFFFAOYSA-N
XLogP1.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(1-amino-3-methylbutan-2-yl)carbamate
CID 62314871
methyl 3-methyl-2-(2,2,2-trifluoroethoxycarbonylamino)butanoate
CID 65168435
3-methyl-2-(2,2,2-trifluoroethoxycarbonylamino)butanoate
CID 140799780
2,2,2-trifluoroethyl N-(1,1,1,3,3,3-hexafluoropropan-2-yl)carbamate
CID 71672142
butyl N-(1-amino-3-methylbutan-2-yl)carbamate
CID 151488236
2,2,2-trifluoroethyl N-[(Z,2S,4Z)-1-amino-4-ethylidenehept-5-en-2-yl]carbamate
CID 163463287
2,2,2-trifluoroethyl N-methoxycarbamate
CID 65168313
2,2,2-trifluoroethyl N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]carbamate
CID 60859368
N-(1-amino-3-methylbutan-2-yl)-4-(trifluoromethyl)benzamide
CID 65190896
2,2,2-trifluoroethyl N-[1-(dimethylamino)-4-methyl-1-oxopentan-2-yl]carbamate
CID 61068823
2,2,2-trifluoroethyl N-[(1R)-1-pyridin-4-ylethyl]carbamate
CID 81410693
2,2,2-trifluoroethyl N-[1-(4-chlorophenyl)ethyl]carbamate
CID 65173896

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate?
The IUPAC name of 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate (CID 142714214) is 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate.
What is the SMILES notation for 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate?
The canonical SMILES for 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate is CC(C)C(CN)NC(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate?
The InChIKey is OGBFVYCMSNRCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-5(2)6(3-12)13-7(14)15-4-8(9,10)11/h5-6H,3-4,12H2,1-2H3,(H,13,14).
What are the key properties of 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate?
2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate has a molecular weight of 228.21 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl N-(1-amino-3-methylbutan-2-yl)carbamate is sourced from PubChem (CID 142714214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).