2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene

C11H13FS — CID 67531286

IUPAC2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene
SMILESC=C(C)Cc1ccc(SC)c(F)c1
InChIInChI=1S/C11H13FS/c1-8(2)6-9-4-5-11(13-3)10(12)7-9/h4-5,7H,1,6H2,2-3H3
InChIKeyUERWJJXYPQWBOF-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.67
Rot. Bonds3

About 2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene

2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene (PubChem CID 67531286) has the molecular formula C11H13FS and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene.

Molecular Properties

Compound Name2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene
PubChem CID67531286
Molecular FormulaC11H13FS
Molecular Weight196.29 g/mol
Exact Mass196.07
IUPAC Name2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene
SMILESC=C(C)Cc1ccc(SC)c(F)c1
InChIInChI=1S/C11H13FS/c1-8(2)6-9-4-5-11(13-3)10(12)7-9/h4-5,7H,1,6H2,2-3H3
InChIKeyUERWJJXYPQWBOF-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-(2-methylprop-2-enyl)phenol
CID 142516267
2-(3-fluoro-4-methylsulfanylphenyl)ethanamine
CID 63818354
N-[2-(3-fluoro-4-methylsulfanylphenyl)-1-phenylethylidene]hydroxylamine
CID 72597447
1-fluoro-4-(2-methylprop-2-enyl)benzene
CID 10954713
3-(3-fluoro-4-methylsulfanylphenyl)propanenitrile
CID 84773588
2,4-bis(2-methylprop-2-enyl)phenol
CID 139609254
1-fluoro-5-[3-[3-fluoro-4-(2-methylprop-2-enyl)phenyl]prop-1-en-2-ylsulfanyl]-2,4-dimethylbenzene
CID 146649233
2-(2-methylprop-2-enyl)naphthalene
CID 24722193
2-fluoro-4-(3-fluoro-4-methylsulfanylphenyl)sulfanyl-1-methylsulfanylbenzene
CID 139623503
3-(2-methylprop-2-enyl)phenol
CID 91657296
1-(4-ethyl-3-methylsulfanylphenyl)propan-2-one
CID 118849286
1,2-difluoro-4-(methylsulfanylmethyl)benzene
CID 89093376

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene?
The IUPAC name of 2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene (CID 67531286) is 2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene.
What is the SMILES notation for 2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene?
The canonical SMILES for 2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene is C=C(C)Cc1ccc(SC)c(F)c1.
What is the InChIKey of 2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene?
The InChIKey is UERWJJXYPQWBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FS/c1-8(2)6-9-4-5-11(13-3)10(12)7-9/h4-5,7H,1,6H2,2-3H3.
What are the key properties of 2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene?
2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene has a molecular weight of 196.29 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-methylprop-2-enyl)-1-methylsulfanylbenzene is sourced from PubChem (CID 67531286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).