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

C13H21F3N2O3 — CID 87320947

IUPACtert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC1NC(=O)C(F)(F)F
InChIInChI=1S/C13H21F3N2O3/c1-12(2,3)21-11(20)18-9-7-5-4-6-8(9)17-10(19)13(14,15)16/h8-9H,4-7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyBDYRALIRNMCBOQ-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.50
Rot. Bonds2

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

tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate (PubChem CID 87320947) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
PubChem CID87320947
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC Nametert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC1NC(=O)C(F)(F)F
InChIInChI=1S/C13H21F3N2O3/c1-12(2,3)21-11(20)18-9-7-5-4-6-8(9)17-10(19)13(14,15)16/h8-9H,4-7H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyBDYRALIRNMCBOQ-UHFFFAOYSA-N
XLogP2.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 118104467
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1S,2S)-2-(cyclohexylamino)cyclohexyl]carbamate
CID 129409949
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid
CID 67452283
[(1R,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] acetate
CID 11065075
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
cis-(1R,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cycloheptane-1-carboxylic acid
CID 17039480
tert-butyl N-[(1S,2R)-2-formylcyclohexyl]carbamate;tert-butyl N-[(1R,2S)-2-formylcyclohexyl]carbamate
CID 102571710
tert-butyl N-[2-(cyclopropylmethylamino)cycloheptyl]carbamate
CID 103082520
potassium trifluoro-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]boranuide
CID 82017750

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate (CID 87320947) is tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCCC1NC(=O)C(F)(F)F.
What is the InChIKey of tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate?
The InChIKey is BDYRALIRNMCBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c1-12(2,3)21-11(20)18-9-7-5-4-6-8(9)17-10(19)13(14,15)16/h8-9H,4-7H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate?
tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate has a molecular weight of 310.32 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 87320947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).