(1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene

C18H17F3O4S — CID 163936269

IUPAC(1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene
SMILESCOc1cc(F)cc(Oc2ccc(S(=O)(=O)C(F)F)c3c2CC[C@H]3C)c1
InChIInChI=1S/C18H17F3O4S/c1-10-3-4-14-15(25-13-8-11(19)7-12(9-13)24-2)5-6-16(17(10)14)26(22,23)18(20)21/h5-10,18H,3-4H2,1-2H3/t10-/m1/s1
InChIKeyRNBZJONCKYOAJI-SNVBAGLBSA-N
MW386.39 g/mol
LogP4.67
Rot. Bonds5

About (1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene

(1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene (PubChem CID 163936269) has the molecular formula C18H17F3O4S and a molecular weight of 386.39 g/mol. Its IUPAC name is (1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name(1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene
PubChem CID163936269
Molecular FormulaC18H17F3O4S
Molecular Weight386.39 g/mol
Exact Mass386.08
IUPAC Name(1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene
SMILESCOc1cc(F)cc(Oc2ccc(S(=O)(=O)C(F)F)c3c2CC[C@H]3C)c1
InChIInChI=1S/C18H17F3O4S/c1-10-3-4-14-15(25-13-8-11(19)7-12(9-13)24-2)5-6-16(17(10)14)26(22,23)18(20)21/h5-10,18H,3-4H2,1-2H3/t10-/m1/s1
InChIKeyRNBZJONCKYOAJI-SNVBAGLBSA-N
XLogP4.67
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene?
The IUPAC name of (1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene (CID 163936269) is (1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene.
What is the SMILES notation for (1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene?
The canonical SMILES for (1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene is COc1cc(F)cc(Oc2ccc(S(=O)(=O)C(F)F)c3c2CC[C@H]3C)c1.
What is the InChIKey of (1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene?
The InChIKey is RNBZJONCKYOAJI-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H17F3O4S/c1-10-3-4-14-15(25-13-8-11(19)7-12(9-13)24-2)5-6-16(17(10)14)26(22,23)18(20)21/h5-10,18H,3-4H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene?
(1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene has a molecular weight of 386.39 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-(difluoromethylsulfonyl)-4-(3-fluoro-5-methoxyphenoxy)-1-methyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 163936269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).