1,3-dichloro-5-(2,2-difluorocyclopropyl)benzene

C9H6Cl2F2 — CID 152690487

IUPAC1,3-dichloro-5-(2,2-difluorocyclopropyl)benzene
SMILESFC1(F)CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H6Cl2F2/c10-6-1-5(2-7(11)3-6)8-4-9(8,12)13/h1-3,8H,4H2
InChIKeyZPLMGQPRIULHOU-UHFFFAOYSA-N
MW223.05 g/mol
LogP4.12
Rot. Bonds1

About 1,3-dichloro-5-(2,2-difluorocyclopropyl)benzene

1,3-dichloro-5-(2,2-difluorocyclopropyl)benzene (PubChem CID 152690487) has the molecular formula C9H6Cl2F2 and a molecular weight of 223.05 g/mol. Its IUPAC name is 1,3-dichloro-5-(2,2-difluorocyclopropyl)benzene.

Molecular Properties

Compound Name1,3-dichloro-5-(2,2-difluorocyclopropyl)benzene
PubChem CID152690487
Molecular FormulaC9H6Cl2F2
Molecular Weight223.05 g/mol
Exact Mass221.98
IUPAC Name1,3-dichloro-5-(2,2-difluorocyclopropyl)benzene
SMILESFC1(F)CC1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H6Cl2F2/c10-6-1-5(2-7(11)3-6)8-4-9(8,12)13/h1-3,8H,4H2
InChIKeyZPLMGQPRIULHOU-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.05
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-(2,2-difluorocyclopropyl)benzene?
The IUPAC name of 1,3-dichloro-5-(2,2-difluorocyclopropyl)benzene (CID 152690487) is 1,3-dichloro-5-(2,2-difluorocyclopropyl)benzene.
What is the SMILES notation for 1,3-dichloro-5-(2,2-difluorocyclopropyl)benzene?
The canonical SMILES for 1,3-dichloro-5-(2,2-difluorocyclopropyl)benzene is FC1(F)CC1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-(2,2-difluorocyclopropyl)benzene?
The InChIKey is ZPLMGQPRIULHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F2/c10-6-1-5(2-7(11)3-6)8-4-9(8,12)13/h1-3,8H,4H2.
What are the key properties of 1,3-dichloro-5-(2,2-difluorocyclopropyl)benzene?
1,3-dichloro-5-(2,2-difluorocyclopropyl)benzene has a molecular weight of 223.05 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-(2,2-difluorocyclopropyl)benzene is sourced from PubChem (CID 152690487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).