tert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine

C10H19F3N2O2 — CID 174841850

IUPACtert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine
SMILESCC(C)(C)OC=O.NC1CNCC1C(F)(F)F
InChIInChI=1S/C5H9F3N2.C5H10O2/c6-5(7,8)3-1-10-2-4(3)9;1-5(2,3)7-4-6/h3-4,10H,1-2,9H2;4H,1-3H3
InChIKeyFOWLLOSDXNYZIW-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.05
Rot. Bonds1

About tert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine

tert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine (PubChem CID 174841850) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is tert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine.

Molecular Properties

Compound Nametert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine
PubChem CID174841850
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Nametert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine
SMILESCC(C)(C)OC=O.NC1CNCC1C(F)(F)F
InChIInChI=1S/C5H9F3N2.C5H10O2/c6-5(7,8)3-1-10-2-4(3)9;1-5(2,3)7-4-6/h3-4,10H,1-2,9H2;4H,1-3H3
InChIKeyFOWLLOSDXNYZIW-UHFFFAOYSA-N
XLogP1.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine?
The IUPAC name of tert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine (CID 174841850) is tert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine.
What is the SMILES notation for tert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine?
The canonical SMILES for tert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine is CC(C)(C)OC=O.NC1CNCC1C(F)(F)F.
What is the InChIKey of tert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine?
The InChIKey is FOWLLOSDXNYZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3N2.C5H10O2/c6-5(7,8)3-1-10-2-4(3)9;1-5(2,3)7-4-6/h3-4,10H,1-2,9H2;4H,1-3H3.
What are the key properties of tert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine?
tert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine has a molecular weight of 256.27 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine is sourced from PubChem (CID 174841850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).