[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-tert-butylcarbamate

C14H23F3N2O3 — CID 140503622

IUPAC[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-tert-butylcarbamate
SMILESCN(C(=O)C(F)(F)F)C1CCC(OC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H23F3N2O3/c1-13(2,3)18-12(21)22-10-7-5-9(6-8-10)19(4)11(20)14(15,16)17/h9-10H,5-8H2,1-4H3,(H,18,21)
InChIKeyMMOUHEFNWMFEGP-UHFFFAOYSA-N
MW324.34 g/mol
LogP2.84
Rot. Bonds2

About [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-tert-butylcarbamate

[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-tert-butylcarbamate (PubChem CID 140503622) has the molecular formula C14H23F3N2O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-tert-butylcarbamate
PubChem CID140503622
Molecular FormulaC14H23F3N2O3
Molecular Weight324.34 g/mol
Exact Mass324.17
IUPAC Name[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-tert-butylcarbamate
SMILESCN(C(=O)C(F)(F)F)C1CCC(OC(=O)NC(C)(C)C)CC1
InChIInChI=1S/C14H23F3N2O3/c1-13(2,3)18-12(21)22-10-7-5-9(6-8-10)19(4)11(20)14(15,16)17/h9-10H,5-8H2,1-4H3,(H,18,21)
InChIKeyMMOUHEFNWMFEGP-UHFFFAOYSA-N
XLogP2.84
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate
CID 134588505
[4-[2,2-Dimethylpropyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate
CID 140107893
tert-butyl N-[4-(difluoromethoxy)cyclohexyl]carbamate
CID 140252336
[4-[Methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate
CID 140548048
[4-[(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-(4-methylpentyl)carbamate
CID 153623487
[4-(2,2-Difluoroethylamino)cyclohexyl] carbamate
CID 153985799
ethyl N-tert-butyl-N-[4-(2,2-difluoroethoxy)cyclohexyl]carbamate
CID 157068594
[4-(1,1-Difluoropropan-2-ylamino)cyclohexyl] carbamate
CID 175003378
[4-[2-Methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] carbamate
CID 175185049
[4-[(2,2,2-Trifluoroacetyl)amino]cyclohexyl] carbamate
CID 175189061
[4-[(1,1-Difluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate
CID 175221755
[4-[(1,1,1-Trifluoro-2-methylpropan-2-yl)amino]cyclohexyl] carbamate
CID 175221783

Frequently Asked Questions

What is the IUPAC name of [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-tert-butylcarbamate?
The IUPAC name of [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-tert-butylcarbamate (CID 140503622) is [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-tert-butylcarbamate.
What is the SMILES notation for [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-tert-butylcarbamate?
The canonical SMILES for [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-tert-butylcarbamate is CN(C(=O)C(F)(F)F)C1CCC(OC(=O)NC(C)(C)C)CC1.
What is the InChIKey of [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-tert-butylcarbamate?
The InChIKey is MMOUHEFNWMFEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O3/c1-13(2,3)18-12(21)22-10-7-5-9(6-8-10)19(4)11(20)14(15,16)17/h9-10H,5-8H2,1-4H3,(H,18,21).
What are the key properties of [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-tert-butylcarbamate?
[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-tert-butylcarbamate has a molecular weight of 324.34 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl] N-tert-butylcarbamate is sourced from PubChem (CID 140503622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).