1,2-dichloro-3-(3-fluoropropyl)benzene

C9H9Cl2F — CID 83924678

IUPAC1,2-dichloro-3-(3-fluoropropyl)benzene
SMILESFCCCc1cccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2F/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1,3,5H,2,4,6H2
InChIKeyYTDBWOPYZJKCIL-UHFFFAOYSA-N
MW207.08 g/mol
LogP3.90
Rot. Bonds3

About 1,2-dichloro-3-(3-fluoropropyl)benzene

1,2-dichloro-3-(3-fluoropropyl)benzene (PubChem CID 83924678) has the molecular formula C9H9Cl2F and a molecular weight of 207.08 g/mol. Its IUPAC name is 1,2-dichloro-3-(3-fluoropropyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-3-(3-fluoropropyl)benzene
PubChem CID83924678
Molecular FormulaC9H9Cl2F
Molecular Weight207.08 g/mol
Exact Mass206.01
IUPAC Name1,2-dichloro-3-(3-fluoropropyl)benzene
SMILESFCCCc1cccc(Cl)c1Cl
InChIInChI=1S/C9H9Cl2F/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1,3,5H,2,4,6H2
InChIKeyYTDBWOPYZJKCIL-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.08
LogP ≤ 53.90
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-fluoropropyl)benzene?
The IUPAC name of 1,2-dichloro-3-(3-fluoropropyl)benzene (CID 83924678) is 1,2-dichloro-3-(3-fluoropropyl)benzene.
What is the SMILES notation for 1,2-dichloro-3-(3-fluoropropyl)benzene?
The canonical SMILES for 1,2-dichloro-3-(3-fluoropropyl)benzene is FCCCc1cccc(Cl)c1Cl.
What is the InChIKey of 1,2-dichloro-3-(3-fluoropropyl)benzene?
The InChIKey is YTDBWOPYZJKCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2F/c10-8-5-1-3-7(9(8)11)4-2-6-12/h1,3,5H,2,4,6H2.
What are the key properties of 1,2-dichloro-3-(3-fluoropropyl)benzene?
1,2-dichloro-3-(3-fluoropropyl)benzene has a molecular weight of 207.08 g/mol, XLogP of 3.90, 3 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-fluoropropyl)benzene is sourced from PubChem (CID 83924678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).