1-ethyl-3,3-difluoroazetidine;hydrochloride

C5H10ClF2N — CID 67529137

IUPAC1-ethyl-3,3-difluoroazetidine;hydrochloride
SMILESCCN1CC(F)(F)C1.Cl
InChIInChI=1S/C5H9F2N.ClH/c1-2-8-3-5(6,7)4-8;/h2-4H2,1H3;1H
InChIKeyVNMBDFDTRJGOCV-UHFFFAOYSA-N
MW157.59 g/mol
LogP1.38
Rot. Bonds1

About 1-ethyl-3,3-difluoroazetidine;hydrochloride

1-ethyl-3,3-difluoroazetidine;hydrochloride (PubChem CID 67529137) has the molecular formula C5H10ClF2N and a molecular weight of 157.59 g/mol. Its IUPAC name is 1-ethyl-3,3-difluoroazetidine;hydrochloride.

Molecular Properties

Compound Name1-ethyl-3,3-difluoroazetidine;hydrochloride
PubChem CID67529137
Molecular FormulaC5H10ClF2N
Molecular Weight157.59 g/mol
Exact Mass157.05
IUPAC Name1-ethyl-3,3-difluoroazetidine;hydrochloride
SMILESCCN1CC(F)(F)C1.Cl
InChIInChI=1S/C5H9F2N.ClH/c1-2-8-3-5(6,7)4-8;/h2-4H2,1H3;1H
InChIKeyVNMBDFDTRJGOCV-UHFFFAOYSA-N
XLogP1.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.59
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-difluoroazetidine;hydrochloride?
The IUPAC name of 1-ethyl-3,3-difluoroazetidine;hydrochloride (CID 67529137) is 1-ethyl-3,3-difluoroazetidine;hydrochloride.
What is the SMILES notation for 1-ethyl-3,3-difluoroazetidine;hydrochloride?
The canonical SMILES for 1-ethyl-3,3-difluoroazetidine;hydrochloride is CCN1CC(F)(F)C1.Cl.
What is the InChIKey of 1-ethyl-3,3-difluoroazetidine;hydrochloride?
The InChIKey is VNMBDFDTRJGOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.ClH/c1-2-8-3-5(6,7)4-8;/h2-4H2,1H3;1H.
What are the key properties of 1-ethyl-3,3-difluoroazetidine;hydrochloride?
1-ethyl-3,3-difluoroazetidine;hydrochloride has a molecular weight of 157.59 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-difluoroazetidine;hydrochloride is sourced from PubChem (CID 67529137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).