4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene

C16H13ClF2O3S — CID 122544296

IUPAC4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene
SMILESO=S(=O)(CF)c1ccc(Oc2cc(F)cc(Cl)c2)c2c1CCC2
InChIInChI=1S/C16H13ClF2O3S/c17-10-6-11(19)8-12(7-10)22-15-4-5-16(23(20,21)9-18)14-3-1-2-13(14)15/h4-8H,1-3,9H2
InChIKeyRGFKPNFIZZNVFK-UHFFFAOYSA-N
MW358.79 g/mol
LogP4.46
Rot. Bonds4

About 4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene

4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene (PubChem CID 122544296) has the molecular formula C16H13ClF2O3S and a molecular weight of 358.79 g/mol. Its IUPAC name is 4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene
PubChem CID122544296
Molecular FormulaC16H13ClF2O3S
Molecular Weight358.79 g/mol
Exact Mass358.02
IUPAC Name4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene
SMILESO=S(=O)(CF)c1ccc(Oc2cc(F)cc(Cl)c2)c2c1CCC2
InChIInChI=1S/C16H13ClF2O3S/c17-10-6-11(19)8-12(7-10)22-15-4-5-16(23(20,21)9-18)14-3-1-2-13(14)15/h4-8H,1-3,9H2
InChIKeyRGFKPNFIZZNVFK-UHFFFAOYSA-N
XLogP4.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.79
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-5-fluorophenoxy)-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
CID 123784434
4-(3-chloro-5-fluorophenoxy)-2-fluoro-7-methylsulfonyl-2-phosphanyl-1,3-dihydroinden-1-ol
CID 123735158
(1S)-4-(3-chloro-5-fluorophenoxy)-7-methyl-2,3-dihydro-1H-inden-1-ol
CID 126738390
4-bromo-5-(3-chloro-5-fluorophenoxy)-2,3-dihydro-1-benzothiophene
CID 144870014
(1S)-4-(3-chloro-5-fluorophenoxy)-3-(hydroxymethyl)-7-(trifluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
CID 121269854
2-bromo-3-(3-chloro-5-fluorophenoxy)-6-(trifluoromethylsulfonyl)benzoic acid
CID 177084704
2-(3-chloro-5-fluorophenoxy)benzoic acid
CID 91575337
(3S)-7-(3-chloro-5-fluorophenoxy)-2,2-difluoro-3-hydroxy-1,3-dihydroindene-4-carbonitrile
CID 130289670
(1R,2S)-7-(difluoromethylsulfonyl)-4-(3,5-difluorophenoxy)-2,3-dihydro-1H-indene-1,2-diol
CID 122506320
4-(3-chloro-5-fluorophenoxy)aniline
CID 67236679
1-[4-chloro-2-(chloromethyl)phenoxy]-3,5-difluorobenzene
CID 114847104
CID 156588551
CID 156588551

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene?
The IUPAC name of 4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene (CID 122544296) is 4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene is O=S(=O)(CF)c1ccc(Oc2cc(F)cc(Cl)c2)c2c1CCC2.
What is the InChIKey of 4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene?
The InChIKey is RGFKPNFIZZNVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O3S/c17-10-6-11(19)8-12(7-10)22-15-4-5-16(23(20,21)9-18)14-3-1-2-13(14)15/h4-8H,1-3,9H2.
What are the key properties of 4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene?
4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene has a molecular weight of 358.79 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-fluorophenoxy)-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 122544296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).