1,5-dichloro-4-fluoro-2,3-dihydro-1H-indene

C9H7Cl2F — CID 114488517

IUPAC1,5-dichloro-4-fluoro-2,3-dihydro-1H-indene
SMILESFc1c(Cl)ccc2c1CCC2Cl
InChIInChI=1S/C9H7Cl2F/c10-7-3-2-6-5(7)1-4-8(11)9(6)12/h1,4,7H,2-3H2
InChIKeyFGWZSKWERQKHSS-UHFFFAOYSA-N
MW205.06 g/mol
LogP3.71
Rot. Bonds

About 1,5-dichloro-4-fluoro-2,3-dihydro-1H-indene

1,5-dichloro-4-fluoro-2,3-dihydro-1H-indene (PubChem CID 114488517) has the molecular formula C9H7Cl2F and a molecular weight of 205.06 g/mol. Its IUPAC name is 1,5-dichloro-4-fluoro-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1,5-dichloro-4-fluoro-2,3-dihydro-1H-indene
PubChem CID114488517
Molecular FormulaC9H7Cl2F
Molecular Weight205.06 g/mol
Exact Mass203.99
IUPAC Name1,5-dichloro-4-fluoro-2,3-dihydro-1H-indene
SMILESFc1c(Cl)ccc2c1CCC2Cl
InChIInChI=1S/C9H7Cl2F/c10-7-3-2-6-5(7)1-4-8(11)9(6)12/h1,4,7H,2-3H2
InChIKeyFGWZSKWERQKHSS-UHFFFAOYSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.06
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-4-fluoro-2,3-dihydro-1H-indene?
The IUPAC name of 1,5-dichloro-4-fluoro-2,3-dihydro-1H-indene (CID 114488517) is 1,5-dichloro-4-fluoro-2,3-dihydro-1H-indene.
What is the SMILES notation for 1,5-dichloro-4-fluoro-2,3-dihydro-1H-indene?
The canonical SMILES for 1,5-dichloro-4-fluoro-2,3-dihydro-1H-indene is Fc1c(Cl)ccc2c1CCC2Cl.
What is the InChIKey of 1,5-dichloro-4-fluoro-2,3-dihydro-1H-indene?
The InChIKey is FGWZSKWERQKHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2F/c10-7-3-2-6-5(7)1-4-8(11)9(6)12/h1,4,7H,2-3H2.
What are the key properties of 1,5-dichloro-4-fluoro-2,3-dihydro-1H-indene?
1,5-dichloro-4-fluoro-2,3-dihydro-1H-indene has a molecular weight of 205.06 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-4-fluoro-2,3-dihydro-1H-indene is sourced from PubChem (CID 114488517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).