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

C10H13FOS — CID 149183279

IUPAC2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene
SMILESCOc1ccc(C(C)SC)cc1F
InChIInChI=1S/C10H13FOS/c1-7(13-3)8-4-5-10(12-2)9(11)6-8/h4-7H,1-3H3
InChIKeyXBJOYVDIZDFOEF-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.26
Rot. Bonds3

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

2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene (PubChem CID 149183279) has the molecular formula C10H13FOS and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene
PubChem CID149183279
Molecular FormulaC10H13FOS
Molecular Weight200.28 g/mol
Exact Mass200.07
IUPAC Name2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene
SMILESCOc1ccc(C(C)SC)cc1F
InChIInChI=1S/C10H13FOS/c1-7(13-3)8-4-5-10(12-2)9(11)6-8/h4-7H,1-3H3
InChIKeyXBJOYVDIZDFOEF-UHFFFAOYSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
4-(dichloromethyl)-2-fluoro-1-methoxybenzene
CID 150361147
4-butan-2-yl-2-fluoro-1-methoxybenzene
CID 126760207
2-methoxy-4-(1-methylsulfanylethyl)phenol
CID 86126303
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
1-(3-fluoro-4-methoxyphenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 60697209
1-(3-fluoro-4-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954300
(1R)-2,2-difluoro-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 97052813
3-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 66436991
1-(3-fluoro-4-methoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65134806
3-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-methylsulfanylbutan-1-ol
CID 103785121

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene?
The IUPAC name of 2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene (CID 149183279) is 2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene.
What is the SMILES notation for 2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene?
The canonical SMILES for 2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene is COc1ccc(C(C)SC)cc1F.
What is the InChIKey of 2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene?
The InChIKey is XBJOYVDIZDFOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FOS/c1-7(13-3)8-4-5-10(12-2)9(11)6-8/h4-7H,1-3H3.
What are the key properties of 2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene?
2-fluoro-1-methoxy-4-(1-methylsulfanylethyl)benzene has a molecular weight of 200.28 g/mol, XLogP of 3.26, 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-methylsulfanylethyl)benzene is sourced from PubChem (CID 149183279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).