1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene

C10H9Cl2F — CID 24722124

IUPAC1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene
SMILESC=C(Cl)CCc1c(F)cccc1Cl
InChIInChI=1S/C10H9Cl2F/c1-7(11)5-6-8-9(12)3-2-4-10(8)13/h2-4H,1,5-6H2
InChIKeyVOEGWUVFJJSPQN-UHFFFAOYSA-N
MW219.09 g/mol
LogP4.16
Rot. Bonds3

About 1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene

1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene (PubChem CID 24722124) has the molecular formula C10H9Cl2F and a molecular weight of 219.09 g/mol. Its IUPAC name is 1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene
PubChem CID24722124
Molecular FormulaC10H9Cl2F
Molecular Weight219.09 g/mol
Exact Mass218.01
IUPAC Name1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene
SMILESC=C(Cl)CCc1c(F)cccc1Cl
InChIInChI=1S/C10H9Cl2F/c1-7(11)5-6-8-9(12)3-2-4-10(8)13/h2-4H,1,5-6H2
InChIKeyVOEGWUVFJJSPQN-UHFFFAOYSA-N
XLogP4.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene?
The IUPAC name of 1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene (CID 24722124) is 1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene is C=C(Cl)CCc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene?
The InChIKey is VOEGWUVFJJSPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F/c1-7(11)5-6-8-9(12)3-2-4-10(8)13/h2-4H,1,5-6H2.
What are the key properties of 1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene?
1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene has a molecular weight of 219.09 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(3-chlorobut-3-enyl)-3-fluorobenzene is sourced from PubChem (CID 24722124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).