1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene

C9H10ClFOS — CID 171367314

IUPAC1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene
SMILESCCOc1cc(Cl)c(F)c(SC)c1
InChIInChI=1S/C9H10ClFOS/c1-3-12-6-4-7(10)9(11)8(5-6)13-2/h4-5H,3H2,1-2H3
InChIKeySFLYYFLAQOLHET-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.60
Rot. Bonds3

About 1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene

1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene (PubChem CID 171367314) has the molecular formula C9H10ClFOS and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene.

Molecular Properties

Compound Name1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene
PubChem CID171367314
Molecular FormulaC9H10ClFOS
Molecular Weight220.70 g/mol
Exact Mass220.01
IUPAC Name1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene
SMILESCCOc1cc(Cl)c(F)c(SC)c1
InChIInChI=1S/C9H10ClFOS/c1-3-12-6-4-7(10)9(11)8(5-6)13-2/h4-5H,3H2,1-2H3
InChIKeySFLYYFLAQOLHET-UHFFFAOYSA-N
XLogP3.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-ethoxy-2-fluoro-3-methylsulfanylphenyl)boronic acid
CID 164894632
2-chloro-5-ethoxy-1,3-difluorobenzene
CID 118847384
CID 90889125
CID 90889125
1-chloro-4-[2-(4-ethoxyphenyl)ethynyl]-2-fluorobenzene
CID 67858430
1-chloro-5-ethoxy-2-iodo-3-methylbenzene
CID 164892578
1-bromo-2,3-dichloro-5-ethoxybenzene
CID 171032896
(3-chloro-4-fluoro-5-methylsulfanylphenyl)boronic acid
CID 164892851
(3-ethoxy-4-fluoro-5-methylsulfanylphenyl)boronic acid
CID 164891608
2-chloro-4-ethoxy-1-ethylbenzene
CID 21064451
3-chloro-2-fluoro-5-(2-methylpropoxy)benzaldehyde
CID 171368194
1-(5-ethoxy-2-fluoro-3-methylphenyl)ethanol
CID 164891517
1-bromo-3-ethoxy-5-methylsulfanylbenzene
CID 164894269

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene?
The IUPAC name of 1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene (CID 171367314) is 1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene.
What is the SMILES notation for 1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene?
The canonical SMILES for 1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene is CCOc1cc(Cl)c(F)c(SC)c1.
What is the InChIKey of 1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene?
The InChIKey is SFLYYFLAQOLHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFOS/c1-3-12-6-4-7(10)9(11)8(5-6)13-2/h4-5H,3H2,1-2H3.
What are the key properties of 1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene?
1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene has a molecular weight of 220.70 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-ethoxy-2-fluoro-3-methylsulfanylbenzene is sourced from PubChem (CID 171367314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).