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

C9H10F2S — CID 130735643

IUPAC1,2-difluoro-4-(2-methylsulfanylethyl)benzene
SMILESCSCCc1ccc(F)c(F)c1
InChIInChI=1S/C9H10F2S/c1-12-5-4-7-2-3-8(10)9(11)6-7/h2-3,6H,4-5H2,1H3
InChIKeyCPYNIPUWLXVWTO-UHFFFAOYSA-N
MW188.24 g/mol
LogP2.87
Rot. Bonds3

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

1,2-difluoro-4-(2-methylsulfanylethyl)benzene (PubChem CID 130735643) has the molecular formula C9H10F2S and a molecular weight of 188.24 g/mol. Its IUPAC name is 1,2-difluoro-4-(2-methylsulfanylethyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-4-(2-methylsulfanylethyl)benzene
PubChem CID130735643
Molecular FormulaC9H10F2S
Molecular Weight188.24 g/mol
Exact Mass188.05
IUPAC Name1,2-difluoro-4-(2-methylsulfanylethyl)benzene
SMILESCSCCc1ccc(F)c(F)c1
InChIInChI=1S/C9H10F2S/c1-12-5-4-7-2-3-8(10)9(11)6-7/h2-3,6H,4-5H2,1H3
InChIKeyCPYNIPUWLXVWTO-UHFFFAOYSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-difluoro-4-(methylsulfanylmethyl)benzene
CID 89093376
1,2-difluoro-4-propylbenzene;methane
CID 160697343
2-(3,4-difluorophenyl)ethanamine;hydrochloride
CID 66523804
N-[(3,4-difluorophenyl)methyl]-4-methylsulfanylbutan-2-amine
CID 115640064
1,2-difluoro-4-(2-methoxyethyl)benzene
CID 18372069
4-(3,3-dimethylbutyl)-1,2-difluorobenzene
CID 59999811
[1-(3,4-difluorophenyl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105330380
5-(3,4-difluorophenyl)-2-methylpentan-2-amine
CID 116925212
1,2-difluoro-4-pent-3-ynylbenzene
CID 83936202
4-(3,4-difluorophenyl)butan-2-amine;hydrochloride
CID 50988115
(3,4-difluorophenyl)methanol
CID 522833
1,2-difluoro-4-(iodomethyl)benzene
CID 11161116

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-4-(2-methylsulfanylethyl)benzene?
The IUPAC name of 1,2-difluoro-4-(2-methylsulfanylethyl)benzene (CID 130735643) is 1,2-difluoro-4-(2-methylsulfanylethyl)benzene.
What is the SMILES notation for 1,2-difluoro-4-(2-methylsulfanylethyl)benzene?
The canonical SMILES for 1,2-difluoro-4-(2-methylsulfanylethyl)benzene is CSCCc1ccc(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-4-(2-methylsulfanylethyl)benzene?
The InChIKey is CPYNIPUWLXVWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2S/c1-12-5-4-7-2-3-8(10)9(11)6-7/h2-3,6H,4-5H2,1H3.
What are the key properties of 1,2-difluoro-4-(2-methylsulfanylethyl)benzene?
1,2-difluoro-4-(2-methylsulfanylethyl)benzene has a molecular weight of 188.24 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-4-(2-methylsulfanylethyl)benzene is sourced from PubChem (CID 130735643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).