tert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid

C11H17F3N2O3 — CID 86722573

IUPACtert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-9(2,3)16(8(18)19)10(4-5-10)7(17)15-6-11(12,13)14/h4-6H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyFRQIEUZVGWPZBY-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.98
Rot. Bonds3

About tert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid

tert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid (PubChem CID 86722573) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is tert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid
PubChem CID86722573
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Nametert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O3/c1-9(2,3)16(8(18)19)10(4-5-10)7(17)15-6-11(12,13)14/h4-6H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyFRQIEUZVGWPZBY-UHFFFAOYSA-N
XLogP1.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid?
The IUPAC name of tert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid (CID 86722573) is tert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid?
The canonical SMILES for tert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid is CC(C)(C)N(C(=O)O)C1(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of tert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid?
The InChIKey is FRQIEUZVGWPZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-9(2,3)16(8(18)19)10(4-5-10)7(17)15-6-11(12,13)14/h4-6H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of tert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid?
tert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid has a molecular weight of 282.26 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid is sourced from PubChem (CID 86722573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).