6-[2-(3-chloro-2-fluoro-4-methylphenyl)ethyl]-3,3,4-trifluoro-2-methyl-1,2-dihydroindene

C19H17ClF4 — CID 130347357

IUPAC6-[2-(3-chloro-2-fluoro-4-methylphenyl)ethyl]-3,3,4-trifluoro-2-methyl-1,2-dihydroindene
SMILESCc1ccc(CCc2cc(F)c3c(c2)CC(C)C3(F)F)c(F)c1Cl
InChIInChI=1S/C19H17ClF4/c1-10-3-5-13(18(22)17(10)20)6-4-12-8-14-7-11(2)19(23,24)16(14)15(21)9-12/h3,5,8-9,11H,4,6-7H2,1-2H3
InChIKeyDPUMDOGCJXWEBU-UHFFFAOYSA-N
MW356.79 g/mol
LogP6.00
Rot. Bonds3

About 6-[2-(3-chloro-2-fluoro-4-methylphenyl)ethyl]-3,3,4-trifluoro-2-methyl-1,2-dihydroindene

6-[2-(3-chloro-2-fluoro-4-methylphenyl)ethyl]-3,3,4-trifluoro-2-methyl-1,2-dihydroindene (PubChem CID 130347357) has the molecular formula C19H17ClF4 and a molecular weight of 356.79 g/mol. Its IUPAC name is 6-[2-(3-chloro-2-fluoro-4-methylphenyl)ethyl]-3,3,4-trifluoro-2-methyl-1,2-dihydroindene.

Molecular Properties

Compound Name6-[2-(3-chloro-2-fluoro-4-methylphenyl)ethyl]-3,3,4-trifluoro-2-methyl-1,2-dihydroindene
PubChem CID130347357
Molecular FormulaC19H17ClF4
Molecular Weight356.79 g/mol
Exact Mass356.10
IUPAC Name6-[2-(3-chloro-2-fluoro-4-methylphenyl)ethyl]-3,3,4-trifluoro-2-methyl-1,2-dihydroindene
SMILESCc1ccc(CCc2cc(F)c3c(c2)CC(C)C3(F)F)c(F)c1Cl
InChIInChI=1S/C19H17ClF4/c1-10-3-5-13(18(22)17(10)20)6-4-12-8-14-7-11(2)19(23,24)16(14)15(21)9-12/h3,5,8-9,11H,4,6-7H2,1-2H3
InChIKeyDPUMDOGCJXWEBU-UHFFFAOYSA-N
XLogP6.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.79
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chloro-2-fluoro-4-methylphenyl)ethyl]-3,3,4-trifluoro-2-methyl-1,2-dihydroindene?
The IUPAC name of 6-[2-(3-chloro-2-fluoro-4-methylphenyl)ethyl]-3,3,4-trifluoro-2-methyl-1,2-dihydroindene (CID 130347357) is 6-[2-(3-chloro-2-fluoro-4-methylphenyl)ethyl]-3,3,4-trifluoro-2-methyl-1,2-dihydroindene.
What is the SMILES notation for 6-[2-(3-chloro-2-fluoro-4-methylphenyl)ethyl]-3,3,4-trifluoro-2-methyl-1,2-dihydroindene?
The canonical SMILES for 6-[2-(3-chloro-2-fluoro-4-methylphenyl)ethyl]-3,3,4-trifluoro-2-methyl-1,2-dihydroindene is Cc1ccc(CCc2cc(F)c3c(c2)CC(C)C3(F)F)c(F)c1Cl.
What is the InChIKey of 6-[2-(3-chloro-2-fluoro-4-methylphenyl)ethyl]-3,3,4-trifluoro-2-methyl-1,2-dihydroindene?
The InChIKey is DPUMDOGCJXWEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF4/c1-10-3-5-13(18(22)17(10)20)6-4-12-8-14-7-11(2)19(23,24)16(14)15(21)9-12/h3,5,8-9,11H,4,6-7H2,1-2H3.
What are the key properties of 6-[2-(3-chloro-2-fluoro-4-methylphenyl)ethyl]-3,3,4-trifluoro-2-methyl-1,2-dihydroindene?
6-[2-(3-chloro-2-fluoro-4-methylphenyl)ethyl]-3,3,4-trifluoro-2-methyl-1,2-dihydroindene has a molecular weight of 356.79 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chloro-2-fluoro-4-methylphenyl)ethyl]-3,3,4-trifluoro-2-methyl-1,2-dihydroindene is sourced from PubChem (CID 130347357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).