1,2-dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene

C11H9Cl2F — CID 135064888

IUPAC1,2-dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene
SMILESFC1CC(=Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C11H9Cl2F/c12-10-3-1-2-8(11(10)13)4-7-5-9(14)6-7/h1-4,9H,5-6H2/b7-4-
InChIKeyRMNPVIJELGCUFI-DAXSKMNVSA-N
MW231.10 g/mol
LogP4.51
Rot. Bonds1

About 1,2-dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene

1,2-dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene (PubChem CID 135064888) has the molecular formula C11H9Cl2F and a molecular weight of 231.10 g/mol. Its IUPAC name is 1,2-dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene.

Molecular Properties

Compound Name1,2-dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene
PubChem CID135064888
Molecular FormulaC11H9Cl2F
Molecular Weight231.10 g/mol
Exact Mass230.01
IUPAC Name1,2-dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene
SMILESFC1CC(=Cc2cccc(Cl)c2Cl)C1
InChIInChI=1S/C11H9Cl2F/c12-10-3-1-2-8(11(10)13)4-7-5-9(14)6-7/h1-4,9H,5-6H2/b7-4-
InChIKeyRMNPVIJELGCUFI-DAXSKMNVSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.10
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene?
The IUPAC name of 1,2-dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene (CID 135064888) is 1,2-dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene.
What is the SMILES notation for 1,2-dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene?
The canonical SMILES for 1,2-dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene is FC1CC(=Cc2cccc(Cl)c2Cl)C1.
What is the InChIKey of 1,2-dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene?
The InChIKey is RMNPVIJELGCUFI-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H9Cl2F/c12-10-3-1-2-8(11(10)13)4-7-5-9(14)6-7/h1-4,9H,5-6H2/b7-4-.
What are the key properties of 1,2-dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene?
1,2-dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene has a molecular weight of 231.10 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-[(3-fluorocyclobutylidene)methyl]benzene is sourced from PubChem (CID 135064888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).