1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene

C13H10F2S — CID 91658314

IUPAC1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene
SMILESFc1ccc(SCc2ccccc2F)cc1
InChIInChI=1S/C13H10F2S/c14-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)15/h1-8H,9H2
InChIKeyOKMOOOCIMTUWCA-UHFFFAOYSA-N
MW236.29 g/mol
LogP4.26
Rot. Bonds3

About 1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene

1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene (PubChem CID 91658314) has the molecular formula C13H10F2S and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene
PubChem CID91658314
Molecular FormulaC13H10F2S
Molecular Weight236.29 g/mol
Exact Mass236.05
IUPAC Name1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene
SMILESFc1ccc(SCc2ccccc2F)cc1
InChIInChI=1S/C13H10F2S/c14-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)15/h1-8H,9H2
InChIKeyOKMOOOCIMTUWCA-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]boronic acid
CID 54968934
2-[2-[(4-fluorophenyl)sulfanylmethyl]phenyl]acetonitrile
CID 19050172
1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene
CID 91658064
4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91656407
4-bromo-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 55027326
5-[(2-fluorophenyl)methylsulfanyl]pyridin-2-amine
CID 43302227
1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene
CID 87128685
2-[(4-fluorophenyl)sulfanylmethyl]-N'-hydroxybenzenecarboximidamide
CID 43187738
1-(2-fluorophenyl)-3-(4-fluorophenyl)sulfanyl-N-methylpropan-2-amine
CID 66070169
2-[[4-[(2-fluorophenyl)methylsulfanyl]phenyl]carbamoyl]benzoic acid
CID 22784520
S-[(2-fluorophenyl)methyl] methanethioate
CID 173104567
2-bromo-5-[(2-fluorophenyl)methylsulfanyl]benzoic acid
CID 113371479

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene?
The IUPAC name of 1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene (CID 91658314) is 1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene.
What is the SMILES notation for 1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene?
The canonical SMILES for 1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene is Fc1ccc(SCc2ccccc2F)cc1.
What is the InChIKey of 1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene?
The InChIKey is OKMOOOCIMTUWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2S/c14-11-5-7-12(8-6-11)16-9-10-3-1-2-4-13(10)15/h1-8H,9H2.
What are the key properties of 1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene?
1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene has a molecular weight of 236.29 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene is sourced from PubChem (CID 91658314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).