tert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate

C15H18ClF3N2O3 — CID 165144141

IUPACtert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Oc2cnc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H18ClF3N2O3/c1-14(2,3)24-13(22)21-8-4-9(5-8)23-10-6-11(15(17,18)19)12(16)20-7-10/h6-9H,4-5H2,1-3H3,(H,21,22)
InChIKeySIPUQWYAJWCTBK-UHFFFAOYSA-N
MW366.77 g/mol
LogP4.19
Rot. Bonds3

About tert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate

tert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate (PubChem CID 165144141) has the molecular formula C15H18ClF3N2O3 and a molecular weight of 366.77 g/mol. Its IUPAC name is tert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate
PubChem CID165144141
Molecular FormulaC15H18ClF3N2O3
Molecular Weight366.77 g/mol
Exact Mass366.10
IUPAC Nametert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CC(Oc2cnc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H18ClF3N2O3/c1-14(2,3)24-13(22)21-8-4-9(5-8)23-10-6-11(15(17,18)19)12(16)20-7-10/h6-9H,4-5H2,1-3H3,(H,21,22)
InChIKeySIPUQWYAJWCTBK-UHFFFAOYSA-N
XLogP4.19
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.77
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-[(5-fluoro-2-pyridinyl)oxy]cyclobutyl]carbamate
CID 175870913
tert-butyl N-[(1R,3R)-3-[(6-bromo-3-pyridinyl)oxy]cyclopentyl]carbamate
CID 169188311
tert-butyl N-[3-[4-[2-[4-[1-(6-chloro-5-fluoropyrimidin-4-yl)ethoxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate
CID 176626079
tert-butyl N-[3-[4-[2-[4-[(2-bromo-4-pyridinyl)oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl]carbamate
CID 167437109
tert-butyl N-[3-[(3-bromo-6-chloro-2-pyridinyl)oxy]cyclobutyl]carbamate
CID 58548593
tert-butyl N-[4-[(5-amino-2-chloro-4-pyridinyl)amino]cyclohexyl]carbamate
CID 163220169
tert-butyl N-[1-[5-[3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-chloro-3-pyridinyl]-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 58865216
tert-butyl N-[3-[(2-chloro-3-pyridinyl)amino]cyclobutyl]carbamate
CID 80559539
tert-butyl N-[3-(1H-1,2,4-triazol-5-yl)cyclobutyl]carbamate
CID 122431420
ethyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxybenzoate
CID 165143858
tert-butyl N-[2-(3,5-dichloro-2-pyridinyl)cyclopropyl]carbamate
CID 91247310
3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]oxypyridine-2-carboxylic acid
CID 175849779

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate (CID 165144141) is tert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate is CC(C)(C)OC(=O)NC1CC(Oc2cnc(Cl)c(C(F)(F)F)c2)C1.
What is the InChIKey of tert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate?
The InChIKey is SIPUQWYAJWCTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2O3/c1-14(2,3)24-13(22)21-8-4-9(5-8)23-10-6-11(15(17,18)19)12(16)20-7-10/h6-9H,4-5H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate?
tert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate has a molecular weight of 366.77 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[6-chloro-5-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutyl]carbamate is sourced from PubChem (CID 165144141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).