1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene

C13H10F2OS — CID 63791219

IUPAC1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene
SMILESO=S(Cc1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C13H10F2OS/c14-11-4-6-13(7-5-11)17(16)9-10-2-1-3-12(15)8-10/h1-8H,9H2
InChIKeyAPXBFKILOJFKOF-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.27
Rot. Bonds3

About 1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene

1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene (PubChem CID 63791219) has the molecular formula C13H10F2OS and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene
PubChem CID63791219
Molecular FormulaC13H10F2OS
Molecular Weight252.29 g/mol
Exact Mass252.04
IUPAC Name1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene
SMILESO=S(Cc1cccc(F)c1)c1ccc(F)cc1
InChIInChI=1S/C13H10F2OS/c14-11-4-6-13(7-5-11)17(16)9-10-2-1-3-12(15)8-10/h1-8H,9H2
InChIKeyAPXBFKILOJFKOF-UHFFFAOYSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-4-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 64715017
1-fluoro-4-[(4-iodophenyl)sulfinylmethyl]benzene
CID 154330077
2-[(4-fluorophenyl)sulfinylmethyl]-1,3-dimethylbenzene
CID 78998480
2-bromo-5-[(4-fluorophenyl)sulfinylmethyl]aniline
CID 113335459
2-bromo-4-fluoro-1-[(4-fluorophenyl)sulfinylmethyl]benzene
CID 64715851
3-[(4-fluorophenyl)sulfinylmethyl]thiophene
CID 64717751
1-[(3-fluorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene
CID 47022782
[4-fluoro-2-[(4-fluorophenyl)sulfinylmethyl]phenyl]methanamine
CID 81328809
2-[(3-fluorophenyl)methylsulfinyl]-2-phenylacetic acid
CID 123122505
2-[(3-fluorophenyl)methylsulfinyl]-5-(trifluoromethyl)aniline
CID 81174824
2-[(3-fluorophenyl)methylsulfinyl]-1,3-benzoxazol-5-amine
CID 61367513
2-[(3-fluorophenyl)methylsulfinyl]propanoic acid
CID 60981912

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene?
The IUPAC name of 1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene (CID 63791219) is 1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene.
What is the SMILES notation for 1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene?
The canonical SMILES for 1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene is O=S(Cc1cccc(F)c1)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene?
The InChIKey is APXBFKILOJFKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2OS/c14-11-4-6-13(7-5-11)17(16)9-10-2-1-3-12(15)8-10/h1-8H,9H2.
What are the key properties of 1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene?
1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene has a molecular weight of 252.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(4-fluorophenyl)sulfinylmethyl]benzene is sourced from PubChem (CID 63791219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).