1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene

C13H8F4OS — CID 14816295

IUPAC1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene
SMILESO=S(c1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8F4OS/c14-10-4-6-11(7-5-10)19(18)12-3-1-2-9(8-12)13(15,16)17/h1-8H
InChIKeyQNNBEESNWZRLQO-UHFFFAOYSA-N
MW288.27 g/mol
LogP4.01
Rot. Bonds2

About 1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene

1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene (PubChem CID 14816295) has the molecular formula C13H8F4OS and a molecular weight of 288.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene
PubChem CID14816295
Molecular FormulaC13H8F4OS
Molecular Weight288.27 g/mol
Exact Mass288.02
IUPAC Name1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene
SMILESO=S(c1ccc(F)cc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H8F4OS/c14-10-4-6-11(7-5-10)19(18)12-3-1-2-9(8-12)13(15,16)17/h1-8H
InChIKeyQNNBEESNWZRLQO-UHFFFAOYSA-N
XLogP4.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-tert-butyl-4-[3-(trifluoromethyl)phenyl]sulfinylaniline
CID 22358264
1-methyl-3-[4-(trifluoromethyl)phenyl]sulfinylbenzene
CID 134935462
CID 53444038
CID 53444038
N-[3-cyano-4-[(S)-[3-(trifluoromethyl)phenyl]sulfinyl]phenyl]-4-fluorobenzamide
CID 40822490
3-fluoro-5-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]aniline
CID 115981205
N-[[4-[3-(trifluoromethyl)phenyl]sulfinylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 71735300
[4-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]phenyl]methanamine
CID 115478175
1-[(3-fluorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene
CID 47022782
3,3,3-trifluoro-2-[[3-(trifluoromethyl)phenyl]sulfinylmethyl]propan-1-amine
CID 103372598
3-[3-(trifluoromethyl)phenyl]sulfinylbutan-1-amine
CID 115478174
6-[3-(trifluoromethyl)phenyl]sulfinylhexan-3-amine
CID 106808069
1-ethyl-2-methyl-4-[4-(trifluoromethyl)phenyl]sulfinylbenzene
CID 121366732

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene (CID 14816295) is 1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene is O=S(c1ccc(F)cc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene?
The InChIKey is QNNBEESNWZRLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4OS/c14-10-4-6-11(7-5-10)19(18)12-3-1-2-9(8-12)13(15,16)17/h1-8H.
What are the key properties of 1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene?
1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene has a molecular weight of 288.27 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfinyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 14816295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).