3-(difluoromethyl)azetidine;hydrochloride

C4H8ClF2N — CID 66653486

IUPAC3-(difluoromethyl)azetidine;hydrochloride
SMILESCl.FC(F)C1CNC1
InChIInChI=1S/C4H7F2N.ClH/c5-4(6)3-1-7-2-3;/h3-4,7H,1-2H2;1H
InChIKeyNYMQWAUMUHQGQQ-UHFFFAOYSA-N
MW143.56 g/mol
LogP0.89
Rot. Bonds1

About 3-(difluoromethyl)azetidine;hydrochloride

3-(difluoromethyl)azetidine;hydrochloride (PubChem CID 66653486) has the molecular formula C4H8ClF2N and a molecular weight of 143.56 g/mol. Its IUPAC name is 3-(difluoromethyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethyl)azetidine;hydrochloride
PubChem CID66653486
Molecular FormulaC4H8ClF2N
Molecular Weight143.56 g/mol
Exact Mass143.03
IUPAC Name3-(difluoromethyl)azetidine;hydrochloride
SMILESCl.FC(F)C1CNC1
InChIInChI=1S/C4H7F2N.ClH/c5-4(6)3-1-7-2-3;/h3-4,7H,1-2H2;1H
InChIKeyNYMQWAUMUHQGQQ-UHFFFAOYSA-N
XLogP0.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.56
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)azetidine;hydrochloride?
The IUPAC name of 3-(difluoromethyl)azetidine;hydrochloride (CID 66653486) is 3-(difluoromethyl)azetidine;hydrochloride.
What is the SMILES notation for 3-(difluoromethyl)azetidine;hydrochloride?
The canonical SMILES for 3-(difluoromethyl)azetidine;hydrochloride is Cl.FC(F)C1CNC1.
What is the InChIKey of 3-(difluoromethyl)azetidine;hydrochloride?
The InChIKey is NYMQWAUMUHQGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2N.ClH/c5-4(6)3-1-7-2-3;/h3-4,7H,1-2H2;1H.
What are the key properties of 3-(difluoromethyl)azetidine;hydrochloride?
3-(difluoromethyl)azetidine;hydrochloride has a molecular weight of 143.56 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)azetidine;hydrochloride is sourced from PubChem (CID 66653486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).