tert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropyl]carbamate

C12H16F3N3O2 — CID 67389842

IUPACtert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C12H16F3N3O2/c1-10(2,3)20-9(19)18-11(4-5-11)8-16-6-7(17-8)12(13,14)15/h6H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyKLIOSHSQDMLILR-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.94
Rot. Bonds2

About tert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropyl]carbamate

tert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropyl]carbamate (PubChem CID 67389842) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is tert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropyl]carbamate
PubChem CID67389842
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Nametert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(c2ncc(C(F)(F)F)[nH]2)CC1
InChIInChI=1S/C12H16F3N3O2/c1-10(2,3)20-9(19)18-11(4-5-11)8-16-6-7(17-8)12(13,14)15/h6H,4-5H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyKLIOSHSQDMLILR-UHFFFAOYSA-N
XLogP2.94
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropyl]carbamate (CID 67389842) is tert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(c2ncc(C(F)(F)F)[nH]2)CC1.
What is the InChIKey of tert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropyl]carbamate?
The InChIKey is KLIOSHSQDMLILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-10(2,3)20-9(19)18-11(4-5-11)8-16-6-7(17-8)12(13,14)15/h6H,4-5H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of tert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropyl]carbamate?
tert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropyl]carbamate has a molecular weight of 291.27 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]cyclopropyl]carbamate is sourced from PubChem (CID 67389842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).