methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate

C10H15F3N2O3 — CID 118104467

IUPACmethyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
SMILESCOC(=O)N[C@H]1CCCC[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-18-9(17)15-7-5-3-2-4-6(7)14-8(16)10(11,12)13/h6-7H,2-5H2,1H3,(H,14,16)(H,15,17)/t6-,7+/m1/s1
InChIKeyUILYVTXPJYRCMW-RQJHMYQMSA-N
MW268.23 g/mol
LogP1.33
Rot. Bonds2

About methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate

methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate (PubChem CID 118104467) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
PubChem CID118104467
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Namemethyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
SMILESCOC(=O)N[C@H]1CCCC[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C10H15F3N2O3/c1-18-9(17)15-7-5-3-2-4-6(7)14-8(16)10(11,12)13/h6-7H,2-5H2,1H3,(H,14,16)(H,15,17)/t6-,7+/m1/s1
InChIKeyUILYVTXPJYRCMW-RQJHMYQMSA-N
XLogP1.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
CID 87320947
2,2,2-trifluoro-N-(2-hydroxycyclohexyl)acetamide
CID 62360896
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
trans-(1R,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclopentane-1-carboxylic acid
CID 84689581
methyl N-[(1S,2S)-2-iodocycloheptyl]carbamate
CID 134934490
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
ethane;methyl N-(2-methylcyclopentyl)carbamate
CID 145397332
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
methyl N-[(1R,2R)-2-propanoylcyclohexyl]carbamate
CID 67724946
methyl N-[(2R)-2-propanoylcyclohexyl]carbamate
CID 122592104
methyl N-cyclohexadecylcarbamate
CID 131977131

Frequently Asked Questions

What is the IUPAC name of methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate?
The IUPAC name of methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate (CID 118104467) is methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate?
The canonical SMILES for methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate is COC(=O)N[C@H]1CCCC[C@H]1NC(=O)C(F)(F)F.
What is the InChIKey of methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate?
The InChIKey is UILYVTXPJYRCMW-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-18-9(17)15-7-5-3-2-4-6(7)14-8(16)10(11,12)13/h6-7H,2-5H2,1H3,(H,14,16)(H,15,17)/t6-,7+/m1/s1.
What are the key properties of methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate?
methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate has a molecular weight of 268.23 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1S,2R)-2-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 118104467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).