2-fluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfanylethanone

C15H10F4OS — CID 162404390

IUPAC2-fluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfanylethanone
SMILESO=C(c1ccccc1)C(F)Sc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F4OS/c16-14(13(20)10-4-2-1-3-5-10)21-12-8-6-11(7-9-12)15(17,18)19/h1-9,14H
InChIKeySKZZKXIIEHGMHJ-UHFFFAOYSA-N
MW314.30 g/mol
LogP4.98
Rot. Bonds4

About 2-fluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfanylethanone

2-fluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfanylethanone (PubChem CID 162404390) has the molecular formula C15H10F4OS and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-fluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfanylethanone.

Molecular Properties

Compound Name2-fluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfanylethanone
PubChem CID162404390
Molecular FormulaC15H10F4OS
Molecular Weight314.30 g/mol
Exact Mass314.04
IUPAC Name2-fluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfanylethanone
SMILESO=C(c1ccccc1)C(F)Sc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F4OS/c16-14(13(20)10-4-2-1-3-5-10)21-12-8-6-11(7-9-12)15(17,18)19/h1-9,14H
InChIKeySKZZKXIIEHGMHJ-UHFFFAOYSA-N
XLogP4.98
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methanone, (4-((4-methylphenyl)thio)phenyl)phenyl-
CID 174341
1-Phenyl-2-(phenylsulphonyl)ethan-1-one
CID 76949
S-(Phenylmethyl) benzenecarbothioate
CID 25954
2-((4-Methylphenyl)sulphonyl)-1-phenylethan-1-one
CID 97654
1-(4-(Phenylthio)phenyl)ethan-1-one
CID 66287
2-Phenyl-4H-1-benzothiopyran-4-one
CID 69914
1-(4-(Methylthio)phenyl)ethan-1-one
CID 74501
1-[4-(Phenylsulfinyl)phenyl]-1-ethanone
CID 1487167
Benzaldehyde, p-phenylthio-
CID 71023
S-(4-Methylphenyl) benzenecarbothioate
CID 25207
Benzenecarbothioic acid, S-phenyl ester
CID 97117
1-(4-Fluorophenyl)-3-[(4-methylphenyl)sulfonyl]-1-propanone
CID 5225625

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfanylethanone?
The IUPAC name of 2-fluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfanylethanone (CID 162404390) is 2-fluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfanylethanone.
What is the SMILES notation for 2-fluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfanylethanone?
The canonical SMILES for 2-fluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfanylethanone is O=C(c1ccccc1)C(F)Sc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-fluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfanylethanone?
The InChIKey is SKZZKXIIEHGMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4OS/c16-14(13(20)10-4-2-1-3-5-10)21-12-8-6-11(7-9-12)15(17,18)19/h1-9,14H.
What are the key properties of 2-fluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfanylethanone?
2-fluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfanylethanone has a molecular weight of 314.30 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-phenyl-2-[4-(trifluoromethyl)phenyl]sulfanylethanone is sourced from PubChem (CID 162404390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).