1-(4-fluorophenyl)sulfonyl-6-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

C19H17F5O3S — CID 163579688

IUPAC1-(4-fluorophenyl)sulfonyl-6-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCC(F)(c1ccc2c(c1)CCC(O)C2S(=O)(=O)c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C19H17F5O3S/c1-18(21,19(22,23)24)12-3-8-15-11(10-12)2-9-16(25)17(15)28(26,27)14-6-4-13(20)5-7-14/h3-8,10,16-17,25H,2,9H2,1H3
InChIKeyGGLXHHJVJOHGEZ-UHFFFAOYSA-N
MW420.40 g/mol
LogP4.39
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-6-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol

1-(4-fluorophenyl)sulfonyl-6-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (PubChem CID 163579688) has the molecular formula C19H17F5O3S and a molecular weight of 420.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-6-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-6-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
PubChem CID163579688
Molecular FormulaC19H17F5O3S
Molecular Weight420.40 g/mol
Exact Mass420.08
IUPAC Name1-(4-fluorophenyl)sulfonyl-6-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol
SMILESCC(F)(c1ccc2c(c1)CCC(O)C2S(=O)(=O)c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C19H17F5O3S/c1-18(21,19(22,23)24)12-3-8-15-11(10-12)2-9-16(25)17(15)28(26,27)14-6-4-13(20)5-7-14/h3-8,10,16-17,25H,2,9H2,1H3
InChIKeyGGLXHHJVJOHGEZ-UHFFFAOYSA-N
XLogP4.39
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-6-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-6-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol (CID 163579688) is 1-(4-fluorophenyl)sulfonyl-6-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-6-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-6-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is CC(F)(c1ccc2c(c1)CCC(O)C2S(=O)(=O)c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-6-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
The InChIKey is GGLXHHJVJOHGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F5O3S/c1-18(21,19(22,23)24)12-3-8-15-11(10-12)2-9-16(25)17(15)28(26,27)14-6-4-13(20)5-7-14/h3-8,10,16-17,25H,2,9H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-6-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol?
1-(4-fluorophenyl)sulfonyl-6-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol has a molecular weight of 420.40 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-6-(1,1,1,2-tetrafluoropropan-2-yl)-1,2,3,4-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 163579688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).