(2S)-3,3-difluoro-2-methylazetidine;hydrochloride

C4H8ClF2N — CID 135396986

IUPAC(2S)-3,3-difluoro-2-methylazetidine;hydrochloride
SMILESC[C@@H]1NCC1(F)F.Cl
InChIInChI=1S/C4H7F2N.ClH/c1-3-4(5,6)2-7-3;/h3,7H,2H2,1H3;1H/t3-;/m0./s1
InChIKeyUZRHEOUHFFMYKB-DFWYDOINSA-N
MW143.56 g/mol
LogP1.04
Rot. Bonds

About (2S)-3,3-difluoro-2-methylazetidine;hydrochloride

(2S)-3,3-difluoro-2-methylazetidine;hydrochloride (PubChem CID 135396986) has the molecular formula C4H8ClF2N and a molecular weight of 143.56 g/mol. Its IUPAC name is (2S)-3,3-difluoro-2-methylazetidine;hydrochloride.

Molecular Properties

Compound Name(2S)-3,3-difluoro-2-methylazetidine;hydrochloride
PubChem CID135396986
Molecular FormulaC4H8ClF2N
Molecular Weight143.56 g/mol
Exact Mass143.03
IUPAC Name(2S)-3,3-difluoro-2-methylazetidine;hydrochloride
SMILESC[C@@H]1NCC1(F)F.Cl
InChIInChI=1S/C4H7F2N.ClH/c1-3-4(5,6)2-7-3;/h3,7H,2H2,1H3;1H/t3-;/m0./s1
InChIKeyUZRHEOUHFFMYKB-DFWYDOINSA-N
XLogP1.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.56
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-3,3-difluoro-2-methylazetidine;hydrochloride?
The IUPAC name of (2S)-3,3-difluoro-2-methylazetidine;hydrochloride (CID 135396986) is (2S)-3,3-difluoro-2-methylazetidine;hydrochloride.
What is the SMILES notation for (2S)-3,3-difluoro-2-methylazetidine;hydrochloride?
The canonical SMILES for (2S)-3,3-difluoro-2-methylazetidine;hydrochloride is C[C@@H]1NCC1(F)F.Cl.
What is the InChIKey of (2S)-3,3-difluoro-2-methylazetidine;hydrochloride?
The InChIKey is UZRHEOUHFFMYKB-DFWYDOINSA-N. The full InChI is InChI=1S/C4H7F2N.ClH/c1-3-4(5,6)2-7-3;/h3,7H,2H2,1H3;1H/t3-;/m0./s1.
What are the key properties of (2S)-3,3-difluoro-2-methylazetidine;hydrochloride?
(2S)-3,3-difluoro-2-methylazetidine;hydrochloride has a molecular weight of 143.56 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3-difluoro-2-methylazetidine;hydrochloride is sourced from PubChem (CID 135396986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).