pentafluoro-[4-[(2S)-2-methoxy-2-phenylethyl]phenyl]-λ6-sulfane

C15H15F5OS — CID 135032127

IUPACpentafluoro-[4-[(2S)-2-methoxy-2-phenylethyl]phenyl]-λ6-sulfane
SMILESCO[C@@H](Cc1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H15F5OS/c1-21-15(13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)22(16,17,18,19)20/h2-10,15H,11H2,1H3/t15-/m0/s1
InChIKeyAKEZYSJIHDAALU-HNNXBMFYSA-N
MW338.34 g/mol
LogP6.27
Rot. Bonds5

About pentafluoro-[4-[(2S)-2-methoxy-2-phenylethyl]phenyl]-λ6-sulfane

pentafluoro-[4-[(2S)-2-methoxy-2-phenylethyl]phenyl]-λ6-sulfane (PubChem CID 135032127) has the molecular formula C15H15F5OS and a molecular weight of 338.34 g/mol. Its IUPAC name is pentafluoro-[4-[(2S)-2-methoxy-2-phenylethyl]phenyl]-λ6-sulfane.

Molecular Properties

Compound Namepentafluoro-[4-[(2S)-2-methoxy-2-phenylethyl]phenyl]-λ6-sulfane
PubChem CID135032127
Molecular FormulaC15H15F5OS
Molecular Weight338.34 g/mol
Exact Mass338.08
IUPAC Namepentafluoro-[4-[(2S)-2-methoxy-2-phenylethyl]phenyl]-λ6-sulfane
SMILESCO[C@@H](Cc1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C15H15F5OS/c1-21-15(13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)22(16,17,18,19)20/h2-10,15H,11H2,1H3/t15-/m0/s1
InChIKeyAKEZYSJIHDAALU-HNNXBMFYSA-N
XLogP6.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.34
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzene, 1,1'-(methoxymethylene)bis-
CID 219159
Pentafluoro-(2-methoxy-2-phenylpropyl)-lambda6-sulfane
CID 155192023
[1-Fluoro-2-phenyl-2-(trifluoromethoxy)ethyl]benzene
CID 134917360
Trifluoromethyl diphenylmethyl ether
CID 13765567
1-Fluoro-4-(methoxy(phenyl)methyl)benzene
CID 20716656
Flunarizine impurity 36
CID 54013323
1,1'-(Methoxymethylene)bis(4-fluorobenzene)
CID 59165749
1-(2,3,4,5,6-Pentafluorophenyl)ethyl 4-methylbenzenesulfonate
CID 19995416
(2,2-Diphenyl-2-propan-2-yloxyethyl)-pentafluoro-lambda6-sulfane
CID 155192452
Pentafluoro-[2-(2-methylprop-2-enoxy)-2,2-diphenylethyl]-lambda6-sulfane
CID 155206596
Pentafluoro-(2-phenyl-2-propan-2-yloxypropyl)-lambda6-sulfane
CID 155206720
(2,2-Diphenyl-2-prop-2-enoxyethyl)-pentafluoro-lambda6-sulfane
CID 155206785

Frequently Asked Questions

What is the IUPAC name of pentafluoro-[4-[(2S)-2-methoxy-2-phenylethyl]phenyl]-λ6-sulfane?
The IUPAC name of pentafluoro-[4-[(2S)-2-methoxy-2-phenylethyl]phenyl]-λ6-sulfane (CID 135032127) is pentafluoro-[4-[(2S)-2-methoxy-2-phenylethyl]phenyl]-λ6-sulfane.
What is the SMILES notation for pentafluoro-[4-[(2S)-2-methoxy-2-phenylethyl]phenyl]-λ6-sulfane?
The canonical SMILES for pentafluoro-[4-[(2S)-2-methoxy-2-phenylethyl]phenyl]-λ6-sulfane is CO[C@@H](Cc1ccc(S(F)(F)(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of pentafluoro-[4-[(2S)-2-methoxy-2-phenylethyl]phenyl]-λ6-sulfane?
The InChIKey is AKEZYSJIHDAALU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H15F5OS/c1-21-15(13-5-3-2-4-6-13)11-12-7-9-14(10-8-12)22(16,17,18,19)20/h2-10,15H,11H2,1H3/t15-/m0/s1.
What are the key properties of pentafluoro-[4-[(2S)-2-methoxy-2-phenylethyl]phenyl]-λ6-sulfane?
pentafluoro-[4-[(2S)-2-methoxy-2-phenylethyl]phenyl]-λ6-sulfane has a molecular weight of 338.34 g/mol, XLogP of 6.27, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentafluoro-[4-[(2S)-2-methoxy-2-phenylethyl]phenyl]-λ6-sulfane is sourced from PubChem (CID 135032127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).