1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene

C16H17FS — CID 167069074

IUPAC1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene
SMILESCSc1cccc(CC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FS/c1-12(14-6-8-15(17)9-7-14)10-13-4-3-5-16(11-13)18-2/h3-9,11-12H,10H2,1-2H3
InChIKeyWFEPTGJDFUJNNF-UHFFFAOYSA-N
MW260.38 g/mol
LogP4.89
Rot. Bonds4

About 1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene

1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene (PubChem CID 167069074) has the molecular formula C16H17FS and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene
PubChem CID167069074
Molecular FormulaC16H17FS
Molecular Weight260.38 g/mol
Exact Mass260.10
IUPAC Name1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene
SMILESCSc1cccc(CC(C)c2ccc(F)cc2)c1
InChIInChI=1S/C16H17FS/c1-12(14-6-8-15(17)9-7-14)10-13-4-3-5-16(11-13)18-2/h3-9,11-12H,10H2,1-2H3
InChIKeyWFEPTGJDFUJNNF-UHFFFAOYSA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-[2-(4-fluorophenyl)propyl]phenyl]ethanethione
CID 139460981
4-[2-(4-fluorophenyl)propyl]phenol
CID 70071344
1-ethyl-3-methylsulfanylbenzene
CID 14944133
2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217792
4-[1-[3-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline;4-[1-[4-[2-(4-aminophenyl)propyl]phenyl]propan-2-yl]aniline
CID 67706104
1,5-bis(3-fluorophenyl)-2,4-bis(4-methylsulfanylphenyl)pentan-3-one
CID 174373565
1-benzyl-3-methylsulfanylbenzene
CID 54461240
1-(3-fluorophenyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]propan-2-amine
CID 104979722
N-[[3-[(4-fluorophenyl)methylsulfanyl]phenyl]methyl]-2-methylpropan-1-amine
CID 66346761
1-fluoro-3-[(3-methylsulfanylphenyl)methyl]-5-propan-2-yloxybenzene
CID 163226518
1-propan-2-yl-3-[(2S)-2-[3-[2-[4-(trifluoromethyl)phenyl]propyl]phenyl]propyl]benzene
CID 178057958
3-[2-(4-aminophenyl)propyl]phenol
CID 70385210

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene?
The IUPAC name of 1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene (CID 167069074) is 1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene?
The canonical SMILES for 1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene is CSc1cccc(CC(C)c2ccc(F)cc2)c1.
What is the InChIKey of 1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene?
The InChIKey is WFEPTGJDFUJNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FS/c1-12(14-6-8-15(17)9-7-14)10-13-4-3-5-16(11-13)18-2/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene?
1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene has a molecular weight of 260.38 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[1-(3-methylsulfanylphenyl)propan-2-yl]benzene is sourced from PubChem (CID 167069074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).