3,3-difluoroazetidine;N,3-dimethylcyclobutan-1-amine;hydrochloride

C9H19ClF2N2 — CID 158420686

IUPAC3,3-difluoroazetidine;N,3-dimethylcyclobutan-1-amine;hydrochloride
SMILESCNC1CC(C)C1.Cl.FC1(F)CNC1
InChIInChI=1S/C6H13N.C3H5F2N.ClH/c1-5-3-6(4-5)7-2;4-3(5)1-6-2-3;/h5-7H,3-4H2,1-2H3;6H,1-2H2;1H
InChIKeyWJAJDDMPABJUEI-UHFFFAOYSA-N
MW228.71 g/mol
LogP1.65
Rot. Bonds1

About 3,3-difluoroazetidine;N,3-dimethylcyclobutan-1-amine;hydrochloride

3,3-difluoroazetidine;N,3-dimethylcyclobutan-1-amine;hydrochloride (PubChem CID 158420686) has the molecular formula C9H19ClF2N2 and a molecular weight of 228.71 g/mol. Its IUPAC name is 3,3-difluoroazetidine;N,3-dimethylcyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name3,3-difluoroazetidine;N,3-dimethylcyclobutan-1-amine;hydrochloride
PubChem CID158420686
Molecular FormulaC9H19ClF2N2
Molecular Weight228.71 g/mol
Exact Mass228.12
IUPAC Name3,3-difluoroazetidine;N,3-dimethylcyclobutan-1-amine;hydrochloride
SMILESCNC1CC(C)C1.Cl.FC1(F)CNC1
InChIInChI=1S/C6H13N.C3H5F2N.ClH/c1-5-3-6(4-5)7-2;4-3(5)1-6-2-3;/h5-7H,3-4H2,1-2H3;6H,1-2H2;1H
InChIKeyWJAJDDMPABJUEI-UHFFFAOYSA-N
XLogP1.65
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.71
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methyl-3-(trifluoromethyl)cyclobutan-1-amine hydrochloride
CID 135393435
3,3-difluoroazetidine;N-methylcyclobutanamine;hydrochloride
CID 159929317
3,3-Difluoroazetidine;methylcyclobutane;hydrochloride
CID 160710219
N-(2,2-difluoropropyl)-2-azaspiro[3.3]heptan-6-amine
CID 175947649
N-[2-(azetidin-3-yl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 105946071
N-[2-(azetidin-3-yl)propyl]-4,4,4-trifluorobutan-2-amine
CID 105946086
3-methyl-N-(4,4,4-trifluorobutan-2-yl)cyclobutan-1-amine
CID 115892372
3-methyl-N-(4,4,4-trifluorobutyl)cyclobutan-1-amine
CID 116014805
N-[2-(azetidin-3-yl)ethyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 116679797
N-[3-(difluoromethyl)cyclobutyl]-3-methylcyclobutan-1-amine
CID 130667446
[(3,3-Difluorocyclobutyl)methyl](isopropyl)amine hydrochloride
CID 134128645
N-isopropyl-3-(trifluoromethyl)cyclobutanamine;hydrochloride
CID 155891532

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoroazetidine;N,3-dimethylcyclobutan-1-amine;hydrochloride?
The IUPAC name of 3,3-difluoroazetidine;N,3-dimethylcyclobutan-1-amine;hydrochloride (CID 158420686) is 3,3-difluoroazetidine;N,3-dimethylcyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 3,3-difluoroazetidine;N,3-dimethylcyclobutan-1-amine;hydrochloride?
The canonical SMILES for 3,3-difluoroazetidine;N,3-dimethylcyclobutan-1-amine;hydrochloride is CNC1CC(C)C1.Cl.FC1(F)CNC1.
What is the InChIKey of 3,3-difluoroazetidine;N,3-dimethylcyclobutan-1-amine;hydrochloride?
The InChIKey is WJAJDDMPABJUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C3H5F2N.ClH/c1-5-3-6(4-5)7-2;4-3(5)1-6-2-3;/h5-7H,3-4H2,1-2H3;6H,1-2H2;1H.
What are the key properties of 3,3-difluoroazetidine;N,3-dimethylcyclobutan-1-amine;hydrochloride?
3,3-difluoroazetidine;N,3-dimethylcyclobutan-1-amine;hydrochloride has a molecular weight of 228.71 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoroazetidine;N,3-dimethylcyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 158420686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).