[1-(benzenesulfonyl)-6,6,6-trifluorohexyl]-dimethyl-phenylgermane

C20H25F3GeO2S — CID 170783665

IUPAC[1-(benzenesulfonyl)-6,6,6-trifluorohexyl]-dimethyl-phenylgermane
SMILESC[Ge](C)(c1ccccc1)C(CCCCC(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25F3GeO2S/c1-24(2,17-11-5-3-6-12-17)19(15-9-10-16-20(21,22)23)27(25,26)18-13-7-4-8-14-18/h3-8,11-14,19H,9-10,15-16H2,1-2H3
InChIKeyKUQTVQZPJNGADS-UHFFFAOYSA-N
MW459.09 g/mol
LogP5.11
Rot. Bonds8

About [1-(benzenesulfonyl)-6,6,6-trifluorohexyl]-dimethyl-phenylgermane

[1-(benzenesulfonyl)-6,6,6-trifluorohexyl]-dimethyl-phenylgermane (PubChem CID 170783665) has the molecular formula C20H25F3GeO2S and a molecular weight of 459.09 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-6,6,6-trifluorohexyl]-dimethyl-phenylgermane.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-6,6,6-trifluorohexyl]-dimethyl-phenylgermane
PubChem CID170783665
Molecular FormulaC20H25F3GeO2S
Molecular Weight459.09 g/mol
Exact Mass460.07
IUPAC Name[1-(benzenesulfonyl)-6,6,6-trifluorohexyl]-dimethyl-phenylgermane
SMILESC[Ge](C)(c1ccccc1)C(CCCCC(F)(F)F)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H25F3GeO2S/c1-24(2,17-11-5-3-6-12-17)19(15-9-10-16-20(21,22)23)27(25,26)18-13-7-4-8-14-18/h3-8,11-14,19H,9-10,15-16H2,1-2H3
InChIKeyKUQTVQZPJNGADS-UHFFFAOYSA-N
XLogP5.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.09
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-6,6,6-trifluorohexyl]-dimethyl-phenylgermane?
The IUPAC name of [1-(benzenesulfonyl)-6,6,6-trifluorohexyl]-dimethyl-phenylgermane (CID 170783665) is [1-(benzenesulfonyl)-6,6,6-trifluorohexyl]-dimethyl-phenylgermane.
What is the SMILES notation for [1-(benzenesulfonyl)-6,6,6-trifluorohexyl]-dimethyl-phenylgermane?
The canonical SMILES for [1-(benzenesulfonyl)-6,6,6-trifluorohexyl]-dimethyl-phenylgermane is C[Ge](C)(c1ccccc1)C(CCCCC(F)(F)F)S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)-6,6,6-trifluorohexyl]-dimethyl-phenylgermane?
The InChIKey is KUQTVQZPJNGADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3GeO2S/c1-24(2,17-11-5-3-6-12-17)19(15-9-10-16-20(21,22)23)27(25,26)18-13-7-4-8-14-18/h3-8,11-14,19H,9-10,15-16H2,1-2H3.
What are the key properties of [1-(benzenesulfonyl)-6,6,6-trifluorohexyl]-dimethyl-phenylgermane?
[1-(benzenesulfonyl)-6,6,6-trifluorohexyl]-dimethyl-phenylgermane has a molecular weight of 459.09 g/mol, XLogP of 5.11, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-6,6,6-trifluorohexyl]-dimethyl-phenylgermane is sourced from PubChem (CID 170783665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).