N-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine

C7H13F3N2 — CID 167305935

IUPACN-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine
SMILESCC(C)NC1(C(F)(F)F)CNC1
InChIInChI=1S/C7H13F3N2/c1-5(2)12-6(3-11-4-6)7(8,9)10/h5,11-12H,3-4H2,1-2H3
InChIKeyPUWDHVFEFPJUHW-UHFFFAOYSA-N
MW182.19 g/mol
LogP0.89
Rot. Bonds2

About N-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine

N-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine (PubChem CID 167305935) has the molecular formula C7H13F3N2 and a molecular weight of 182.19 g/mol. Its IUPAC name is N-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine
PubChem CID167305935
Molecular FormulaC7H13F3N2
Molecular Weight182.19 g/mol
Exact Mass182.10
IUPAC NameN-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine
SMILESCC(C)NC1(C(F)(F)F)CNC1
InChIInChI=1S/C7H13F3N2/c1-5(2)12-6(3-11-4-6)7(8,9)10/h5,11-12H,3-4H2,1-2H3
InChIKeyPUWDHVFEFPJUHW-UHFFFAOYSA-N
XLogP0.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine?
The IUPAC name of N-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine (CID 167305935) is N-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine.
What is the SMILES notation for N-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine?
The canonical SMILES for N-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine is CC(C)NC1(C(F)(F)F)CNC1.
What is the InChIKey of N-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine?
The InChIKey is PUWDHVFEFPJUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2/c1-5(2)12-6(3-11-4-6)7(8,9)10/h5,11-12H,3-4H2,1-2H3.
What are the key properties of N-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine?
N-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine has a molecular weight of 182.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine is sourced from PubChem (CID 167305935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).