tert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]methyl]carbamate

C15H27F3N2O3 — CID 103947699

IUPACtert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NCC(O)C(F)(F)F
InChIInChI=1S/C15H27F3N2O3/c1-14(2,3)23-13(22)20-8-10-6-4-5-7-11(10)19-9-12(21)15(16,17)18/h10-12,19,21H,4-9H2,1-3H3,(H,20,22)
InChIKeyWDJCIILQVAPFQP-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.58
Rot. Bonds5

About tert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]methyl]carbamate

tert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]methyl]carbamate (PubChem CID 103947699) has the molecular formula C15H27F3N2O3 and a molecular weight of 340.39 g/mol. Its IUPAC name is tert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]methyl]carbamate
PubChem CID103947699
Molecular FormulaC15H27F3N2O3
Molecular Weight340.39 g/mol
Exact Mass340.20
IUPAC Nametert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCCC1NCC(O)C(F)(F)F
InChIInChI=1S/C15H27F3N2O3/c1-14(2,3)23-13(22)20-8-10-6-4-5-7-11(10)19-9-12(21)15(16,17)18/h10-12,19,21H,4-9H2,1-3H3,(H,20,22)
InChIKeyWDJCIILQVAPFQP-UHFFFAOYSA-N
XLogP2.58
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]methyl]carbamate (CID 103947699) is tert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCCC1NCC(O)C(F)(F)F.
What is the InChIKey of tert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]methyl]carbamate?
The InChIKey is WDJCIILQVAPFQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O3/c1-14(2,3)23-13(22)20-8-10-6-4-5-7-11(10)19-9-12(21)15(16,17)18/h10-12,19,21H,4-9H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]methyl]carbamate?
tert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]methyl]carbamate has a molecular weight of 340.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]cyclohexyl]methyl]carbamate is sourced from PubChem (CID 103947699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).