5-fluoro-6-[(R)-methylsulfinyl]cyclohexa-1,3-diene

C7H9FOS — CID 174288669

IUPAC5-fluoro-6-[(R)-methylsulfinyl]cyclohexa-1,3-diene
SMILESC[S@@](=O)C1C=CC=CC1F
InChIInChI=1S/C7H9FOS/c1-10(9)7-5-3-2-4-6(7)8/h2-7H,1H3/t6?,7?,10-/m1/s1
InChIKeySDGPIUMHYJMCRX-HNQUHTCLSA-N
MW160.21 g/mol
LogP1.20
Rot. Bonds1

About 5-fluoro-6-[(R)-methylsulfinyl]cyclohexa-1,3-diene

5-fluoro-6-[(R)-methylsulfinyl]cyclohexa-1,3-diene (PubChem CID 174288669) has the molecular formula C7H9FOS and a molecular weight of 160.21 g/mol. Its IUPAC name is 5-fluoro-6-[(R)-methylsulfinyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name5-fluoro-6-[(R)-methylsulfinyl]cyclohexa-1,3-diene
PubChem CID174288669
Molecular FormulaC7H9FOS
Molecular Weight160.21 g/mol
Exact Mass160.04
IUPAC Name5-fluoro-6-[(R)-methylsulfinyl]cyclohexa-1,3-diene
SMILESC[S@@](=O)C1C=CC=CC1F
InChIInChI=1S/C7H9FOS/c1-10(9)7-5-3-2-4-6(7)8/h2-7H,1H3/t6?,7?,10-/m1/s1
InChIKeySDGPIUMHYJMCRX-HNQUHTCLSA-N
XLogP1.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[(R)-methylsulfinyl]cyclohexa-1,3-diene?
The IUPAC name of 5-fluoro-6-[(R)-methylsulfinyl]cyclohexa-1,3-diene (CID 174288669) is 5-fluoro-6-[(R)-methylsulfinyl]cyclohexa-1,3-diene.
What is the SMILES notation for 5-fluoro-6-[(R)-methylsulfinyl]cyclohexa-1,3-diene?
The canonical SMILES for 5-fluoro-6-[(R)-methylsulfinyl]cyclohexa-1,3-diene is C[S@@](=O)C1C=CC=CC1F.
What is the InChIKey of 5-fluoro-6-[(R)-methylsulfinyl]cyclohexa-1,3-diene?
The InChIKey is SDGPIUMHYJMCRX-HNQUHTCLSA-N. The full InChI is InChI=1S/C7H9FOS/c1-10(9)7-5-3-2-4-6(7)8/h2-7H,1H3/t6?,7?,10-/m1/s1.
What are the key properties of 5-fluoro-6-[(R)-methylsulfinyl]cyclohexa-1,3-diene?
5-fluoro-6-[(R)-methylsulfinyl]cyclohexa-1,3-diene has a molecular weight of 160.21 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[(R)-methylsulfinyl]cyclohexa-1,3-diene is sourced from PubChem (CID 174288669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).