N,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine

C8H15F3N2 — CID 175417339

IUPACN,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine
SMILESCNC1(C)CN(C(CF)C(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-8(12-2)4-13(5-8)6(3-9)7(10)11/h6-7,12H,3-5H2,1-2H3
InChIKeyWOWDQEXOTSAPCK-UHFFFAOYSA-N
MW196.22 g/mol
LogP0.88
Rot. Bonds4

About N,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine

N,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine (PubChem CID 175417339) has the molecular formula C8H15F3N2 and a molecular weight of 196.22 g/mol. Its IUPAC name is N,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine
PubChem CID175417339
Molecular FormulaC8H15F3N2
Molecular Weight196.22 g/mol
Exact Mass196.12
IUPAC NameN,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine
SMILESCNC1(C)CN(C(CF)C(F)F)C1
InChIInChI=1S/C8H15F3N2/c1-8(12-2)4-13(5-8)6(3-9)7(10)11/h6-7,12H,3-5H2,1-2H3
InChIKeyWOWDQEXOTSAPCK-UHFFFAOYSA-N
XLogP0.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine?
The IUPAC name of N,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine (CID 175417339) is N,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine.
What is the SMILES notation for N,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine?
The canonical SMILES for N,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine is CNC1(C)CN(C(CF)C(F)F)C1.
What is the InChIKey of N,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine?
The InChIKey is WOWDQEXOTSAPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2/c1-8(12-2)4-13(5-8)6(3-9)7(10)11/h6-7,12H,3-5H2,1-2H3.
What are the key properties of N,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine?
N,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine has a molecular weight of 196.22 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine is sourced from PubChem (CID 175417339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).