1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene

C10H11FS — CID 123675178

IUPAC1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene
SMILESCSC=C(C)c1ccc(F)cc1
InChIInChI=1S/C10H11FS/c1-8(7-12-2)9-3-5-10(11)6-4-9/h3-7H,1-2H3
InChIKeyCAEKYSPJAFMZGU-UHFFFAOYSA-N
MW182.26 g/mol
LogP3.55
Rot. Bonds2

About 1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene

1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene (PubChem CID 123675178) has the molecular formula C10H11FS and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene
PubChem CID123675178
Molecular FormulaC10H11FS
Molecular Weight182.26 g/mol
Exact Mass182.06
IUPAC Name1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene
SMILESCSC=C(C)c1ccc(F)cc1
InChIInChI=1S/C10H11FS/c1-8(7-12-2)9-3-5-10(11)6-4-9/h3-7H,1-2H3
InChIKeyCAEKYSPJAFMZGU-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-[(E)-1-methylsulfanylprop-1-en-2-yl]benzene
CID 134934706
1-(1-bromoprop-1-en-2-yl)-4-fluorobenzene
CID 86644757
2-(4-fluorophenyl)-N,N-dimethylprop-1-en-1-amine
CID 174492825
ethane;1-fluoro-4-[(E)-pent-2-en-2-yl]benzene
CID 142869478
2-[1-(4-fluorophenyl)ethenyl]-2-[(E)-1-methylsulfanylprop-1-en-2-yl]propanedinitrile
CID 169088148
(E)-3-[4-(4-fluorophenyl)phenyl]but-2-en-1-ol
CID 58816048
(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide
CID 144683992
1-fluoro-N-methyl-3-[4-[(E)-1-methylsulfanylprop-1-en-2-yl]phenyl]butan-2-amine;3-methylbut-1-ene
CID 142806657
1-(4-fluorophenyl)ethanone;methanol
CID 160697688
(2E,4E)-5-(4-fluorophenyl)-N,2-dimethylhexa-2,4-dien-1-amine
CID 142025151
1-(4-fluorophenyl)-2-methylpropan-1-one;sulfur dioxide
CID 158795498
(2R)-4,4-bis(4-fluorophenyl)but-3-en-2-ol
CID 139263654

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene?
The IUPAC name of 1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene (CID 123675178) is 1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene.
What is the SMILES notation for 1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene?
The canonical SMILES for 1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene is CSC=C(C)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene?
The InChIKey is CAEKYSPJAFMZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FS/c1-8(7-12-2)9-3-5-10(11)6-4-9/h3-7H,1-2H3.
What are the key properties of 1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene?
1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene has a molecular weight of 182.26 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(1-methylsulfanylprop-1-en-2-yl)benzene is sourced from PubChem (CID 123675178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).