2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene

C10H11FOS — CID 174166098

IUPAC2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene
SMILESC=C(SC)c1ccc(OC)c(F)c1
InChIInChI=1S/C10H11FOS/c1-7(13-3)8-4-5-10(12-2)9(11)6-8/h4-6H,1H2,2-3H3
InChIKeyOTLCCCZAGALDCS-UHFFFAOYSA-N
MW198.26 g/mol
LogP3.17
Rot. Bonds3

About 2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene

2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene (PubChem CID 174166098) has the molecular formula C10H11FOS and a molecular weight of 198.26 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene
PubChem CID174166098
Molecular FormulaC10H11FOS
Molecular Weight198.26 g/mol
Exact Mass198.05
IUPAC Name2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene
SMILESC=C(SC)c1ccc(OC)c(F)c1
InChIInChI=1S/C10H11FOS/c1-7(13-3)8-4-5-10(12-2)9(11)6-8/h4-6H,1H2,2-3H3
InChIKeyOTLCCCZAGALDCS-UHFFFAOYSA-N
XLogP3.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-methoxy-4-prop-1-en-2-ylbenzene
CID 64665544
2-(3-fluoro-4-methoxyphenyl)prop-2-enenitrile
CID 19830824
2-(3-fluoro-4-methoxyphenyl)prop-2-enoic acid
CID 82281962
3-fluoro-4-methoxybenzoate
CID 4251674
(NE)-N-[1-(3-fluoro-4-methoxyphenyl)ethylidene]thiohydroxylamine
CID 154643359
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanone
CID 23354759
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
3-fluoro-4-methoxyphenol
CID 14661613
3-chloro-2-(3-fluoro-4-methoxyphenyl)prop-2-enal
CID 173375029
(3-fluoro-4-methoxyphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476859
2-amino-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 82048621

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene?
The IUPAC name of 2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene (CID 174166098) is 2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene.
What is the SMILES notation for 2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene?
The canonical SMILES for 2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene is C=C(SC)c1ccc(OC)c(F)c1.
What is the InChIKey of 2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene?
The InChIKey is OTLCCCZAGALDCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FOS/c1-7(13-3)8-4-5-10(12-2)9(11)6-8/h4-6H,1H2,2-3H3.
What are the key properties of 2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene?
2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene has a molecular weight of 198.26 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-4-(1-methylsulfanylethenyl)benzene is sourced from PubChem (CID 174166098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).