7-chloro-3,3-difluoro-6-propan-2-yl-1,2-dihydroindene

C12H13ClF2 — CID 118344270

IUPAC7-chloro-3,3-difluoro-6-propan-2-yl-1,2-dihydroindene
SMILESCC(C)c1ccc2c(c1Cl)CCC2(F)F
InChIInChI=1S/C12H13ClF2/c1-7(2)8-3-4-10-9(11(8)13)5-6-12(10,14)15/h3-4,7H,5-6H2,1-2H3
InChIKeyLPYSGEUVTSMFHV-UHFFFAOYSA-N
MW230.69 g/mol
LogP4.50
Rot. Bonds1

About 7-chloro-3,3-difluoro-6-propan-2-yl-1,2-dihydroindene

7-chloro-3,3-difluoro-6-propan-2-yl-1,2-dihydroindene (PubChem CID 118344270) has the molecular formula C12H13ClF2 and a molecular weight of 230.69 g/mol. Its IUPAC name is 7-chloro-3,3-difluoro-6-propan-2-yl-1,2-dihydroindene.

Molecular Properties

Compound Name7-chloro-3,3-difluoro-6-propan-2-yl-1,2-dihydroindene
PubChem CID118344270
Molecular FormulaC12H13ClF2
Molecular Weight230.69 g/mol
Exact Mass230.07
IUPAC Name7-chloro-3,3-difluoro-6-propan-2-yl-1,2-dihydroindene
SMILESCC(C)c1ccc2c(c1Cl)CCC2(F)F
InChIInChI=1S/C12H13ClF2/c1-7(2)8-3-4-10-9(11(8)13)5-6-12(10,14)15/h3-4,7H,5-6H2,1-2H3
InChIKeyLPYSGEUVTSMFHV-UHFFFAOYSA-N
XLogP4.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3,3-difluoro-6-propan-2-yl-1,2-dihydroindene?
The IUPAC name of 7-chloro-3,3-difluoro-6-propan-2-yl-1,2-dihydroindene (CID 118344270) is 7-chloro-3,3-difluoro-6-propan-2-yl-1,2-dihydroindene.
What is the SMILES notation for 7-chloro-3,3-difluoro-6-propan-2-yl-1,2-dihydroindene?
The canonical SMILES for 7-chloro-3,3-difluoro-6-propan-2-yl-1,2-dihydroindene is CC(C)c1ccc2c(c1Cl)CCC2(F)F.
What is the InChIKey of 7-chloro-3,3-difluoro-6-propan-2-yl-1,2-dihydroindene?
The InChIKey is LPYSGEUVTSMFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2/c1-7(2)8-3-4-10-9(11(8)13)5-6-12(10,14)15/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 7-chloro-3,3-difluoro-6-propan-2-yl-1,2-dihydroindene?
7-chloro-3,3-difluoro-6-propan-2-yl-1,2-dihydroindene has a molecular weight of 230.69 g/mol, XLogP of 4.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3,3-difluoro-6-propan-2-yl-1,2-dihydroindene is sourced from PubChem (CID 118344270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).