1,1,1,3,3,3-hexafluoro-2-[phenylsulfanyl(triphenylgermyl)methyl]propan-2-ol

C28H22F6GeOS — CID 10031381

IUPAC1,1,1,3,3,3-hexafluoro-2-[phenylsulfanyl(triphenylgermyl)methyl]propan-2-ol
SMILESOC(C(Sc1ccccc1)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C28H22F6GeOS/c29-27(30,31)26(36,28(32,33)34)25(37-24-19-11-4-12-20-24)35(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-20,25,36H
InChIKeyQIMPBDYLRKJSEP-UHFFFAOYSA-N
MW593.15 g/mol
LogP5.71
Rot. Bonds7

About 1,1,1,3,3,3-hexafluoro-2-[phenylsulfanyl(triphenylgermyl)methyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[phenylsulfanyl(triphenylgermyl)methyl]propan-2-ol (PubChem CID 10031381) has the molecular formula C28H22F6GeOS and a molecular weight of 593.15 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[phenylsulfanyl(triphenylgermyl)methyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[phenylsulfanyl(triphenylgermyl)methyl]propan-2-ol
PubChem CID10031381
Molecular FormulaC28H22F6GeOS
Molecular Weight593.15 g/mol
Exact Mass594.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[phenylsulfanyl(triphenylgermyl)methyl]propan-2-ol
SMILESOC(C(Sc1ccccc1)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C28H22F6GeOS/c29-27(30,31)26(36,28(32,33)34)25(37-24-19-11-4-12-20-24)35(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-20,25,36H
InChIKeyQIMPBDYLRKJSEP-UHFFFAOYSA-N
XLogP5.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.15
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1,3,3,3-hexafluoropropan-2-ylsulfanylbenzene
CID 12567444
bis(trifluoromethylsulfonyl)methylsulfanylbenzene
CID 162538123
(2S)-3-hydroxy-3-methyl-2-phenylsulfanylbutanoic acid
CID 124639034
4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol
CID 102489892
(2-chloro-1,2,2-trifluoroethyl)sulfanylbenzene
CID 15639803
(1,2,2-trifluoro-3-iodopropyl)sulfanylbenzene
CID 101153777
(2,2,2-trifluoro-1-methoxyethyl)sulfanylbenzene
CID 11276083
1-[bis(phenylsulfanyl)methyl]-4-(trifluoromethyl)benzene
CID 14604424
4-[4,6-bis(3-hydroxy-3-methyl-2-phenylsulfanylbutyl)-1,3,5-triazin-2-yl]-2-methyl-3-phenylsulfanylbutan-2-ol
CID 11843361
1,2,2-trichloropropylsulfanylbenzene
CID 13419822
1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol
CID 157119135
3-phenylsulfanylbutane-1,2,4-triol
CID 54001701

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[phenylsulfanyl(triphenylgermyl)methyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[phenylsulfanyl(triphenylgermyl)methyl]propan-2-ol (CID 10031381) is 1,1,1,3,3,3-hexafluoro-2-[phenylsulfanyl(triphenylgermyl)methyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[phenylsulfanyl(triphenylgermyl)methyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[phenylsulfanyl(triphenylgermyl)methyl]propan-2-ol is OC(C(Sc1ccccc1)[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[phenylsulfanyl(triphenylgermyl)methyl]propan-2-ol?
The InChIKey is QIMPBDYLRKJSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F6GeOS/c29-27(30,31)26(36,28(32,33)34)25(37-24-19-11-4-12-20-24)35(21-13-5-1-6-14-21,22-15-7-2-8-16-22)23-17-9-3-10-18-23/h1-20,25,36H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[phenylsulfanyl(triphenylgermyl)methyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[phenylsulfanyl(triphenylgermyl)methyl]propan-2-ol has a molecular weight of 593.15 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[phenylsulfanyl(triphenylgermyl)methyl]propan-2-ol is sourced from PubChem (CID 10031381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).