3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride

C10H13ClF2N2 — CID 166608754

IUPAC3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride
SMILESCl.NC1(c2cccc(C(F)F)c2)CNC1
InChIInChI=1S/C10H12F2N2.ClH/c11-9(12)7-2-1-3-8(4-7)10(13)5-14-6-10;/h1-4,9,14H,5-6,13H2;1H
InChIKeyUWUGETIDNWBWNQ-UHFFFAOYSA-N
MW234.68 g/mol
LogP1.80
Rot. Bonds2

About 3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride

3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride (PubChem CID 166608754) has the molecular formula C10H13ClF2N2 and a molecular weight of 234.68 g/mol. Its IUPAC name is 3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride.

Molecular Properties

Compound Name3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride
PubChem CID166608754
Molecular FormulaC10H13ClF2N2
Molecular Weight234.68 g/mol
Exact Mass234.07
IUPAC Name3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride
SMILESCl.NC1(c2cccc(C(F)F)c2)CNC1
InChIInChI=1S/C10H12F2N2.ClH/c11-9(12)7-2-1-3-8(4-7)10(13)5-14-6-10;/h1-4,9,14H,5-6,13H2;1H
InChIKeyUWUGETIDNWBWNQ-UHFFFAOYSA-N
XLogP1.80
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.68
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride?
The IUPAC name of 3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride (CID 166608754) is 3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride.
What is the SMILES notation for 3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride?
The canonical SMILES for 3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride is Cl.NC1(c2cccc(C(F)F)c2)CNC1.
What is the InChIKey of 3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride?
The InChIKey is UWUGETIDNWBWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2.ClH/c11-9(12)7-2-1-3-8(4-7)10(13)5-14-6-10;/h1-4,9,14H,5-6,13H2;1H.
What are the key properties of 3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride?
3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride has a molecular weight of 234.68 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(difluoromethyl)phenyl]azetidin-3-amine;hydrochloride is sourced from PubChem (CID 166608754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).