2-fluoro-1-phenyl-2-phenylsulfanylethanone

C14H11FOS — CID 10037552

IUPAC2-fluoro-1-phenyl-2-phenylsulfanylethanone
SMILESO=C(c1ccccc1)C(F)Sc1ccccc1
InChIInChI=1S/C14H11FOS/c15-14(17-12-9-5-2-6-10-12)13(16)11-7-3-1-4-8-11/h1-10,14H
InChIKeyRCUFAUZWAROMQN-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.96
Rot. Bonds4

About 2-fluoro-1-phenyl-2-phenylsulfanylethanone

2-fluoro-1-phenyl-2-phenylsulfanylethanone (PubChem CID 10037552) has the molecular formula C14H11FOS and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-fluoro-1-phenyl-2-phenylsulfanylethanone.

Molecular Properties

Compound Name2-fluoro-1-phenyl-2-phenylsulfanylethanone
PubChem CID10037552
Molecular FormulaC14H11FOS
Molecular Weight246.31 g/mol
Exact Mass246.05
IUPAC Name2-fluoro-1-phenyl-2-phenylsulfanylethanone
SMILESO=C(c1ccccc1)C(F)Sc1ccccc1
InChIInChI=1S/C14H11FOS/c15-14(17-12-9-5-2-6-10-12)13(16)11-7-3-1-4-8-11/h1-10,14H
InChIKeyRCUFAUZWAROMQN-UHFFFAOYSA-N
XLogP3.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl 2-fluoro-2-phenylsulfanylacetate
CID 15882411
N-[(1R)-2-oxo-2-phenyl-1-phenylsulfanylethyl]benzamide
CID 41097239
(2R)-2-chloro-2-fluoro-1-phenylethanone
CID 93494146
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
2-fluoro-3-hydroxy-1-phenylpropan-1-one
CID 45080752
(2S)-2-hydroxy-2-phenylsulfanylacetic acid
CID 69088951
2-hydroxy-1,2-diphenylethanone
CID 159399559
2-fluoro-3-methyl-1-phenylpentan-1-one
CID 10965397
[(1R)-2-oxo-1,2-diphenylethyl] (2R)-2-phenyl-2-phenylsulfanylacetate
CID 2386634
2-(4-chlorophenyl)sulfanyl-1,2-diphenylethanone
CID 2797592
2-(3-bromophenyl)sulfanyl-2-fluoroacetic acid
CID 79357808
methyl 2-fluoro-3-methoxy-3-phenylsulfanylpropanoate
CID 84820303

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-phenyl-2-phenylsulfanylethanone?
The IUPAC name of 2-fluoro-1-phenyl-2-phenylsulfanylethanone (CID 10037552) is 2-fluoro-1-phenyl-2-phenylsulfanylethanone.
What is the SMILES notation for 2-fluoro-1-phenyl-2-phenylsulfanylethanone?
The canonical SMILES for 2-fluoro-1-phenyl-2-phenylsulfanylethanone is O=C(c1ccccc1)C(F)Sc1ccccc1.
What is the InChIKey of 2-fluoro-1-phenyl-2-phenylsulfanylethanone?
The InChIKey is RCUFAUZWAROMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FOS/c15-14(17-12-9-5-2-6-10-12)13(16)11-7-3-1-4-8-11/h1-10,14H.
What are the key properties of 2-fluoro-1-phenyl-2-phenylsulfanylethanone?
2-fluoro-1-phenyl-2-phenylsulfanylethanone has a molecular weight of 246.31 g/mol, XLogP of 3.96, 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-phenylsulfanylethanone is sourced from PubChem (CID 10037552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).