1-[1-(4-chlorophenyl)ethenyl]-3,3-difluoroazetidine

C11H10ClF2N — CID 89366585

IUPAC1-[1-(4-chlorophenyl)ethenyl]-3,3-difluoroazetidine
SMILESC=C(c1ccc(Cl)cc1)N1CC(F)(F)C1
InChIInChI=1S/C11H10ClF2N/c1-8(15-6-11(13,14)7-15)9-2-4-10(12)5-3-9/h2-5H,1,6-7H2
InChIKeyORDZMNCUCKSPMO-UHFFFAOYSA-N
MW229.66 g/mol
LogP3.26
Rot. Bonds2

About 1-[1-(4-chlorophenyl)ethenyl]-3,3-difluoroazetidine

1-[1-(4-chlorophenyl)ethenyl]-3,3-difluoroazetidine (PubChem CID 89366585) has the molecular formula C11H10ClF2N and a molecular weight of 229.66 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)ethenyl]-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)ethenyl]-3,3-difluoroazetidine
PubChem CID89366585
Molecular FormulaC11H10ClF2N
Molecular Weight229.66 g/mol
Exact Mass229.05
IUPAC Name1-[1-(4-chlorophenyl)ethenyl]-3,3-difluoroazetidine
SMILESC=C(c1ccc(Cl)cc1)N1CC(F)(F)C1
InChIInChI=1S/C11H10ClF2N/c1-8(15-6-11(13,14)7-15)9-2-4-10(12)5-3-9/h2-5H,1,6-7H2
InChIKeyORDZMNCUCKSPMO-UHFFFAOYSA-N
XLogP3.26
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.66
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)ethenyl]-3,3-difluoroazetidine?
The IUPAC name of 1-[1-(4-chlorophenyl)ethenyl]-3,3-difluoroazetidine (CID 89366585) is 1-[1-(4-chlorophenyl)ethenyl]-3,3-difluoroazetidine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)ethenyl]-3,3-difluoroazetidine?
The canonical SMILES for 1-[1-(4-chlorophenyl)ethenyl]-3,3-difluoroazetidine is C=C(c1ccc(Cl)cc1)N1CC(F)(F)C1.
What is the InChIKey of 1-[1-(4-chlorophenyl)ethenyl]-3,3-difluoroazetidine?
The InChIKey is ORDZMNCUCKSPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2N/c1-8(15-6-11(13,14)7-15)9-2-4-10(12)5-3-9/h2-5H,1,6-7H2.
What are the key properties of 1-[1-(4-chlorophenyl)ethenyl]-3,3-difluoroazetidine?
1-[1-(4-chlorophenyl)ethenyl]-3,3-difluoroazetidine has a molecular weight of 229.66 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)ethenyl]-3,3-difluoroazetidine is sourced from PubChem (CID 89366585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).