2,4-difluoro-1-(2-methylsulfinylethenyl)benzene

C9H8F2OS — CID 67288123

IUPAC2,4-difluoro-1-(2-methylsulfinylethenyl)benzene
SMILESCS(=O)C=Cc1ccc(F)cc1F
InChIInChI=1S/C9H8F2OS/c1-13(12)5-4-7-2-3-8(10)6-9(7)11/h2-6H,1H3
InChIKeyALMWTTNSKBDCFL-UHFFFAOYSA-N
MW202.22 g/mol
LogP2.31
Rot. Bonds2

About 2,4-difluoro-1-(2-methylsulfinylethenyl)benzene

2,4-difluoro-1-(2-methylsulfinylethenyl)benzene (PubChem CID 67288123) has the molecular formula C9H8F2OS and a molecular weight of 202.22 g/mol. Its IUPAC name is 2,4-difluoro-1-(2-methylsulfinylethenyl)benzene.

Molecular Properties

Compound Name2,4-difluoro-1-(2-methylsulfinylethenyl)benzene
PubChem CID67288123
Molecular FormulaC9H8F2OS
Molecular Weight202.22 g/mol
Exact Mass202.03
IUPAC Name2,4-difluoro-1-(2-methylsulfinylethenyl)benzene
SMILESCS(=O)C=Cc1ccc(F)cc1F
InChIInChI=1S/C9H8F2OS/c1-13(12)5-4-7-2-3-8(10)6-9(7)11/h2-6H,1H3
InChIKeyALMWTTNSKBDCFL-UHFFFAOYSA-N
XLogP2.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-difluorophenyl)-N-[2-(2,4-difluorophenyl)ethenylsulfinyl]ethenesulfinamide
CID 66992508
3-(2,4-difluorophenyl)prop-2-enal
CID 2763109
2,4-difluoro-1-[(E)-2-methylsulfonylethenyl]benzene
CID 87339541
1-[(E)-2-bromoethenyl]-2,4-difluorobenzene
CID 165468200
1,5-bis(2,4-difluorophenyl)penta-1,4-dien-3-one
CID 68697765
(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene
CID 178070842
1-[2-[2-(2,4-difluorophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]-2,4-difluorobenzene
CID 73043521
(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid
CID 22292345
(E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine
CID 54775722
(2E,4E)-5-(2,4-difluorophenyl)penta-2,4-dienoic acid
CID 116865813
methyl (E)-4-(2,4-difluorophenyl)but-3-enoate
CID 165430996

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-(2-methylsulfinylethenyl)benzene?
The IUPAC name of 2,4-difluoro-1-(2-methylsulfinylethenyl)benzene (CID 67288123) is 2,4-difluoro-1-(2-methylsulfinylethenyl)benzene.
What is the SMILES notation for 2,4-difluoro-1-(2-methylsulfinylethenyl)benzene?
The canonical SMILES for 2,4-difluoro-1-(2-methylsulfinylethenyl)benzene is CS(=O)C=Cc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-(2-methylsulfinylethenyl)benzene?
The InChIKey is ALMWTTNSKBDCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2OS/c1-13(12)5-4-7-2-3-8(10)6-9(7)11/h2-6H,1H3.
What are the key properties of 2,4-difluoro-1-(2-methylsulfinylethenyl)benzene?
2,4-difluoro-1-(2-methylsulfinylethenyl)benzene has a molecular weight of 202.22 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-(2-methylsulfinylethenyl)benzene is sourced from PubChem (CID 67288123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).