1-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene

C11H12ClF — CID 55264295

IUPAC1-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene
SMILESCC1(C)Cc2c(F)cccc2C1Cl
InChIInChI=1S/C11H12ClF/c1-11(2)6-8-7(10(11)12)4-3-5-9(8)13/h3-5,10H,6H2,1-2H3
InChIKeyWULXKIQTWFWYPK-UHFFFAOYSA-N
MW198.67 g/mol
LogP3.69
Rot. Bonds

About 1-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene

1-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene (PubChem CID 55264295) has the molecular formula C11H12ClF and a molecular weight of 198.67 g/mol. Its IUPAC name is 1-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene.

Molecular Properties

Compound Name1-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene
PubChem CID55264295
Molecular FormulaC11H12ClF
Molecular Weight198.67 g/mol
Exact Mass198.06
IUPAC Name1-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene
SMILESCC1(C)Cc2c(F)cccc2C1Cl
InChIInChI=1S/C11H12ClF/c1-11(2)6-8-7(10(11)12)4-3-5-9(8)13/h3-5,10H,6H2,1-2H3
InChIKeyWULXKIQTWFWYPK-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 53.69
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-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene?
The IUPAC name of 1-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene (CID 55264295) is 1-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene.
What is the SMILES notation for 1-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene?
The canonical SMILES for 1-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene is CC1(C)Cc2c(F)cccc2C1Cl.
What is the InChIKey of 1-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene?
The InChIKey is WULXKIQTWFWYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF/c1-11(2)6-8-7(10(11)12)4-3-5-9(8)13/h3-5,10H,6H2,1-2H3.
What are the key properties of 1-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene?
1-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene has a molecular weight of 198.67 g/mol, XLogP of 3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-fluoro-2,2-dimethyl-1,3-dihydroindene is sourced from PubChem (CID 55264295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).