1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene

C14H12F2OS — CID 139197607

IUPAC1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene
SMILESC[C@@H](c1ccc(F)cc1)[S@@](=O)c1ccc(F)cc1
InChIInChI=1S/C14H12F2OS/c1-10(11-2-4-12(15)5-3-11)18(17)14-8-6-13(16)7-9-14/h2-10H,1H3/t10-,18+/m0/s1
InChIKeyNZQMIUFCUFNZNO-XTZNXHDOSA-N
MW266.31 g/mol
LogP3.83
Rot. Bonds3

About 1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene

1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene (PubChem CID 139197607) has the molecular formula C14H12F2OS and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene
PubChem CID139197607
Molecular FormulaC14H12F2OS
Molecular Weight266.31 g/mol
Exact Mass266.06
IUPAC Name1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene
SMILESC[C@@H](c1ccc(F)cc1)[S@@](=O)c1ccc(F)cc1
InChIInChI=1S/C14H12F2OS/c1-10(11-2-4-12(15)5-3-11)18(17)14-8-6-13(16)7-9-14/h2-10H,1H3/t10-,18+/m0/s1
InChIKeyNZQMIUFCUFNZNO-XTZNXHDOSA-N
XLogP3.83
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene?
The IUPAC name of 1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene (CID 139197607) is 1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene?
The canonical SMILES for 1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene is C[C@@H](c1ccc(F)cc1)[S@@](=O)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene?
The InChIKey is NZQMIUFCUFNZNO-XTZNXHDOSA-N. The full InChI is InChI=1S/C14H12F2OS/c1-10(11-2-4-12(15)5-3-11)18(17)14-8-6-13(16)7-9-14/h2-10H,1H3/t10-,18+/m0/s1.
What are the key properties of 1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene?
1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene has a molecular weight of 266.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(1S)-1-[(R)-(4-fluorophenyl)sulfinyl]ethyl]benzene is sourced from PubChem (CID 139197607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).