1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene

C13H10F2S — CID 91656520

IUPAC1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
SMILESFc1cccc(CSc2cccc(F)c2)c1
InChIInChI=1S/C13H10F2S/c14-11-4-1-3-10(7-11)9-16-13-6-2-5-12(15)8-13/h1-8H,9H2
InChIKeyWLDHCPMGEHMVKR-UHFFFAOYSA-N
MW236.29 g/mol
LogP4.26
Rot. Bonds3

About 1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene

1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene (PubChem CID 91656520) has the molecular formula C13H10F2S and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
PubChem CID91656520
Molecular FormulaC13H10F2S
Molecular Weight236.29 g/mol
Exact Mass236.05
IUPAC Name1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene
SMILESFc1cccc(CSc2cccc(F)c2)c1
InChIInChI=1S/C13H10F2S/c14-11-4-1-3-10(7-11)9-16-13-6-2-5-12(15)8-13/h1-8H,9H2
InChIKeyWLDHCPMGEHMVKR-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

1,2-difluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657909
1-chloro-4-[(3-fluorophenyl)sulfanylmethyl]benzene
CID 91657412
3-[(3-aminophenyl)methylsulfanyl]-5-fluoroaniline
CID 113274192
2-[2-[(3-fluorophenyl)sulfanylmethyl]phenyl]acetic acid
CID 113314396
1-fluoro-3-prop-2-enylsulfanylbenzene
CID 91656198
1-chloro-3-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91655656
methyl 2-fluoro-4-[(3-fluorophenyl)sulfanylmethyl]benzoate
CID 103749703
1-[3-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanol
CID 105409441
3-[(3,5-difluorophenyl)methylsulfanyl]benzoic acid
CID 105402276
4,6-dichloro-2-[(3-fluorophenyl)sulfanylmethyl]-5-methylpyrimidine
CID 66073080
1-[3-[(4-fluorophenyl)methylsulfanyl]phenyl]-N-methylmethanamine
CID 66356452
3-(3-fluorophenyl)sulfanylpropan-1-amine
CID 70244905

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene?
The IUPAC name of 1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene (CID 91656520) is 1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene.
What is the SMILES notation for 1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene?
The canonical SMILES for 1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene is Fc1cccc(CSc2cccc(F)c2)c1.
What is the InChIKey of 1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene?
The InChIKey is WLDHCPMGEHMVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2S/c14-11-4-1-3-10(7-11)9-16-13-6-2-5-12(15)8-13/h1-8H,9H2.
What are the key properties of 1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]benzene?
1-fluoro-3-[(3-fluorophenyl)methylsulfanyl]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-3-[(3-fluorophenyl)methylsulfanyl]benzene is sourced from PubChem (CID 91656520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).