9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate

C21H14Cl2O2S — CID 7701638

IUPAC9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate
SMILESO=C(CSc1cc(Cl)ccc1Cl)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H14Cl2O2S/c22-13-9-10-18(23)19(11-13)26-12-20(24)25-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)21/h1-11,21H,12H2
InChIKeyXNVCFFNGXXRRDQ-UHFFFAOYSA-N
MW401.31 g/mol
LogP6.40
Rot. Bonds4

About 9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate

9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate (PubChem CID 7701638) has the molecular formula C21H14Cl2O2S and a molecular weight of 401.31 g/mol. Its IUPAC name is 9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate.

Molecular Properties

Compound Name9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate
PubChem CID7701638
Molecular FormulaC21H14Cl2O2S
Molecular Weight401.31 g/mol
Exact Mass400.01
IUPAC Name9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate
SMILESO=C(CSc1cc(Cl)ccc1Cl)OC1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H14Cl2O2S/c22-13-9-10-18(23)19(11-13)26-12-20(24)25-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)21/h1-11,21H,12H2
InChIKeyXNVCFFNGXXRRDQ-UHFFFAOYSA-N
XLogP6.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.31
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-yl 2-naphthalen-2-ylsulfanylacetate
CID 7795740
9H-fluoren-9-yl 2-(4-bromophenyl)sulfanylacetate
CID 7903234
(2-anilino-2-oxoethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701715
[2-[di(propan-2-yl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 9167168
(4-phenylpiperidin-4-yl) 2-(2,5-dichlorophenyl)sulfanylacetate
CID 167316198
2-(2,5-dichlorophenyl)sulfanyl-1-(2-fluorophenyl)ethanone
CID 43414111
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701760
2-(2,5-dichlorophenyl)sulfanyl-N-phenylmethoxyacetamide
CID 60627025
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701533
9H-fluoren-9-yl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951283
(2-oxo-2-piperidin-1-ylethyl) 2-(2,5-dichlorophenyl)sulfanylacetate
CID 55313686
[2-(2-cyanoanilino)-2-oxoethyl] 2-(2,5-dichlorophenyl)sulfanylacetate
CID 7701692

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate?
The IUPAC name of 9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate (CID 7701638) is 9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate.
What is the SMILES notation for 9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate?
The canonical SMILES for 9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate is O=C(CSc1cc(Cl)ccc1Cl)OC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate?
The InChIKey is XNVCFFNGXXRRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2O2S/c22-13-9-10-18(23)19(11-13)26-12-20(24)25-21-16-7-3-1-5-14(16)15-6-2-4-8-17(15)21/h1-11,21H,12H2.
What are the key properties of 9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate?
9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate has a molecular weight of 401.31 g/mol, XLogP of 6.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl 2-(2,5-dichlorophenyl)sulfanylacetate is sourced from PubChem (CID 7701638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).