N-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine

C9H15F3N2 — CID 106219255

IUPACN-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCCC2CNC2)CC1
InChIInChI=1S/C9H15F3N2/c10-9(11,12)8(2-3-8)14-4-1-7-5-13-6-7/h7,13-14H,1-6H2
InChIKeyTWCWGNPFERELLT-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.28
Rot. Bonds4

About N-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 106219255) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID106219255
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC NameN-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCCC2CNC2)CC1
InChIInChI=1S/C9H15F3N2/c10-9(11,12)8(2-3-8)14-4-1-7-5-13-6-7/h7,13-14H,1-6H2
InChIKeyTWCWGNPFERELLT-UHFFFAOYSA-N
XLogP1.28
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 106219255) is N-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine is FC(F)(F)C1(NCCC2CNC2)CC1.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is TWCWGNPFERELLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2/c10-9(11,12)8(2-3-8)14-4-1-7-5-13-6-7/h7,13-14H,1-6H2.
What are the key properties of N-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 208.23 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)ethyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 106219255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).