tert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate

C9H14F3NO2 — CID 11658639

IUPACtert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-7(2,3)15-6(14)13-8(4-5-8)9(10,11)12/h4-5H2,1-3H3,(H,13,14)
InChIKeyGHEKGGDYVHWSBM-UHFFFAOYSA-N
MW225.21 g/mol
LogP2.61
Rot. Bonds1

About tert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate

tert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate (PubChem CID 11658639) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is tert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate
PubChem CID11658639
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Nametert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO2/c1-7(2,3)15-6(14)13-8(4-5-8)9(10,11)12/h4-5H2,1-3H3,(H,13,14)
InChIKeyGHEKGGDYVHWSBM-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate (CID 11658639) is tert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of tert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate?
The InChIKey is GHEKGGDYVHWSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c1-7(2,3)15-6(14)13-8(4-5-8)9(10,11)12/h4-5H2,1-3H3,(H,13,14).
What are the key properties of tert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate?
tert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate has a molecular weight of 225.21 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(trifluoromethyl)cyclopropyl]carbamate is sourced from PubChem (CID 11658639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).