1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene

C14H12F2S2 — CID 87128685

IUPAC1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene
SMILESFc1ccccc1CSSCc1ccccc1F
InChIInChI=1S/C14H12F2S2/c15-13-7-3-1-5-11(13)9-17-18-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2
InChIKeyJKPNWQQVFNNOFR-UHFFFAOYSA-N
MW282.38 g/mol
LogP5.05
Rot. Bonds5

About 1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene

1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene (PubChem CID 87128685) has the molecular formula C14H12F2S2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene
PubChem CID87128685
Molecular FormulaC14H12F2S2
Molecular Weight282.38 g/mol
Exact Mass282.03
IUPAC Name1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene
SMILESFc1ccccc1CSSCc1ccccc1F
InChIInChI=1S/C14H12F2S2/c15-13-7-3-1-5-11(13)9-17-18-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2
InChIKeyJKPNWQQVFNNOFR-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.38
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}

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Related Compounds

S-[(2-fluorophenyl)methyl] methanethioate
CID 173104567
1-fluoro-2-[(4-fluorophenyl)sulfanylmethyl]benzene
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2-[(2-fluorophenyl)methylsulfanyl]ethanamine;hydrochloride
CID 21425273
2-[(2-fluorophenyl)methylsulfanylmethyl]benzoic acid
CID 82177981
2-[(2-fluorophenyl)methylsulfanyl]benzoic acid
CID 2462926
azane;1-fluoro-2-(fluoromethyl)benzene
CID 174977857
1-fluoro-2-[2-[2-(2-fluorophenyl)ethylsulfanyl]ethyl]benzene
CID 67503932
azane;1-ethyl-2-fluorobenzene
CID 66657049
1-fluoro-2-[(2-fluorophenyl)methoxymethyl]benzene
CID 67509440
3-[(2-fluorophenyl)methylsulfanyl]propanoic acid
CID 3239663
1-chloro-2-fluoro-4-[(2-fluorophenyl)methylsulfanyl]benzene
CID 91658064
2-[(2-fluorophenyl)methylsulfanyl]propanoic acid
CID 24706071

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene?
The IUPAC name of 1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene (CID 87128685) is 1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene.
What is the SMILES notation for 1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene?
The canonical SMILES for 1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene is Fc1ccccc1CSSCc1ccccc1F.
What is the InChIKey of 1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene?
The InChIKey is JKPNWQQVFNNOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2S2/c15-13-7-3-1-5-11(13)9-17-18-10-12-6-2-4-8-14(12)16/h1-8H,9-10H2.
What are the key properties of 1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene?
1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene has a molecular weight of 282.38 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[[(2-fluorophenyl)methyldisulfanyl]methyl]benzene is sourced from PubChem (CID 87128685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).