3-(trifluoromethyl)azetidin-3-amine;hydrochloride

C4H8ClF3N2 — CID 137347355

IUPAC3-(trifluoromethyl)azetidin-3-amine;hydrochloride
SMILESCl.NC1(C(F)(F)F)CNC1
InChIInChI=1S/C4H7F3N2.ClH/c5-4(6,7)3(8)1-9-2-3;/h9H,1-2,8H2;1H
InChIKeyKRXUXSYPXGNRGW-UHFFFAOYSA-N
MW176.57 g/mol
LogP0.27
Rot. Bonds

About 3-(trifluoromethyl)azetidin-3-amine;hydrochloride

3-(trifluoromethyl)azetidin-3-amine;hydrochloride (PubChem CID 137347355) has the molecular formula C4H8ClF3N2 and a molecular weight of 176.57 g/mol. Its IUPAC name is 3-(trifluoromethyl)azetidin-3-amine;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethyl)azetidin-3-amine;hydrochloride
PubChem CID137347355
Molecular FormulaC4H8ClF3N2
Molecular Weight176.57 g/mol
Exact Mass176.03
IUPAC Name3-(trifluoromethyl)azetidin-3-amine;hydrochloride
SMILESCl.NC1(C(F)(F)F)CNC1
InChIInChI=1S/C4H7F3N2.ClH/c5-4(6,7)3(8)1-9-2-3;/h9H,1-2,8H2;1H
InChIKeyKRXUXSYPXGNRGW-UHFFFAOYSA-N
XLogP0.27
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.57
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Trifluoromethyl)azetidin-3-amine
CID 50989638
3-(1,1-Difluoropropan-2-yl)azetidin-3-amine
CID 67506272
(2S)-3,3-difluoro-1-N,2-dimethylpropane-1,2-diamine
CID 87085026
3-(Fluoromethyl)azetidin-3-amine
CID 89004116
3-(Trifluoromethyl)azetidin-3-amine dihydrochloride
CID 135392808
3-(2,2,2-Trifluoroethyl)azetidin-3-amine
CID 141524138
N-propan-2-yl-3-(trifluoromethyl)azetidin-3-amine
CID 167305935
N-ethyl-3-(trifluoromethyl)azetidin-3-amine
CID 167306022
N,3-dimethyl-1-(1,1,3-trifluoropropan-2-yl)azetidin-3-amine
CID 175417339
N,N-dimethyl-3-(trifluoromethyl)azetidin-3-amine;hydrochloride
CID 176377604
N,N-dimethyl-3-(trifluoromethyl)azetidin-3-amine
CID 176377605
N-(3,3,3-trifluoropropyl)azetidin-3-amine
CID 65959998

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)azetidin-3-amine;hydrochloride?
The IUPAC name of 3-(trifluoromethyl)azetidin-3-amine;hydrochloride (CID 137347355) is 3-(trifluoromethyl)azetidin-3-amine;hydrochloride.
What is the SMILES notation for 3-(trifluoromethyl)azetidin-3-amine;hydrochloride?
The canonical SMILES for 3-(trifluoromethyl)azetidin-3-amine;hydrochloride is Cl.NC1(C(F)(F)F)CNC1.
What is the InChIKey of 3-(trifluoromethyl)azetidin-3-amine;hydrochloride?
The InChIKey is KRXUXSYPXGNRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2.ClH/c5-4(6,7)3(8)1-9-2-3;/h9H,1-2,8H2;1H.
What are the key properties of 3-(trifluoromethyl)azetidin-3-amine;hydrochloride?
3-(trifluoromethyl)azetidin-3-amine;hydrochloride has a molecular weight of 176.57 g/mol, XLogP of 0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)azetidin-3-amine;hydrochloride is sourced from PubChem (CID 137347355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).