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

C10H9Cl2F — CID 114488519

IUPAC1,5-dichloro-4-fluoro-2-methyl-2,3-dihydro-1H-indene
SMILESCC1Cc2c(ccc(Cl)c2F)C1Cl
InChIInChI=1S/C10H9Cl2F/c1-5-4-7-6(9(5)12)2-3-8(11)10(7)13/h2-3,5,9H,4H2,1H3
InChIKeyGGHHVFCMSXJAOU-UHFFFAOYSA-N
MW219.09 g/mol
LogP3.95
Rot. Bonds

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

1,5-dichloro-4-fluoro-2-methyl-2,3-dihydro-1H-indene (PubChem CID 114488519) has the molecular formula C10H9Cl2F and a molecular weight of 219.09 g/mol. Its IUPAC name is 1,5-dichloro-4-fluoro-2-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name1,5-dichloro-4-fluoro-2-methyl-2,3-dihydro-1H-indene
PubChem CID114488519
Molecular FormulaC10H9Cl2F
Molecular Weight219.09 g/mol
Exact Mass218.01
IUPAC Name1,5-dichloro-4-fluoro-2-methyl-2,3-dihydro-1H-indene
SMILESCC1Cc2c(ccc(Cl)c2F)C1Cl
InChIInChI=1S/C10H9Cl2F/c1-5-4-7-6(9(5)12)2-3-8(11)10(7)13/h2-3,5,9H,4H2,1H3
InChIKeyGGHHVFCMSXJAOU-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 53.95
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-methyl-2,3-dihydro-1H-indene?
The IUPAC name of 1,5-dichloro-4-fluoro-2-methyl-2,3-dihydro-1H-indene (CID 114488519) is 1,5-dichloro-4-fluoro-2-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 1,5-dichloro-4-fluoro-2-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for 1,5-dichloro-4-fluoro-2-methyl-2,3-dihydro-1H-indene is CC1Cc2c(ccc(Cl)c2F)C1Cl.
What is the InChIKey of 1,5-dichloro-4-fluoro-2-methyl-2,3-dihydro-1H-indene?
The InChIKey is GGHHVFCMSXJAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2F/c1-5-4-7-6(9(5)12)2-3-8(11)10(7)13/h2-3,5,9H,4H2,1H3.
What are the key properties of 1,5-dichloro-4-fluoro-2-methyl-2,3-dihydro-1H-indene?
1,5-dichloro-4-fluoro-2-methyl-2,3-dihydro-1H-indene has a molecular weight of 219.09 g/mol, XLogP of 3.95, 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-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 114488519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).