2-(2-chloroprop-2-enylsulfanylmethyl)-4-fluoro-1-methoxybenzene

C11H12ClFOS — CID 86882684

IUPAC2-(2-chloroprop-2-enylsulfanylmethyl)-4-fluoro-1-methoxybenzene
SMILESC=C(Cl)CSCc1cc(F)ccc1OC
InChIInChI=1S/C11H12ClFOS/c1-8(12)6-15-7-9-5-10(13)3-4-11(9)14-2/h3-5H,1,6-7H2,2H3
InChIKeyNXEVODPQKZUKCC-UHFFFAOYSA-N
MW246.73 g/mol
LogP3.82
Rot. Bonds5

About 2-(2-chloroprop-2-enylsulfanylmethyl)-4-fluoro-1-methoxybenzene

2-(2-chloroprop-2-enylsulfanylmethyl)-4-fluoro-1-methoxybenzene (PubChem CID 86882684) has the molecular formula C11H12ClFOS and a molecular weight of 246.73 g/mol. Its IUPAC name is 2-(2-chloroprop-2-enylsulfanylmethyl)-4-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name2-(2-chloroprop-2-enylsulfanylmethyl)-4-fluoro-1-methoxybenzene
PubChem CID86882684
Molecular FormulaC11H12ClFOS
Molecular Weight246.73 g/mol
Exact Mass246.03
IUPAC Name2-(2-chloroprop-2-enylsulfanylmethyl)-4-fluoro-1-methoxybenzene
SMILESC=C(Cl)CSCc1cc(F)ccc1OC
InChIInChI=1S/C11H12ClFOS/c1-8(12)6-15-7-9-5-10(13)3-4-11(9)14-2/h3-5H,1,6-7H2,2H3
InChIKeyNXEVODPQKZUKCC-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.73
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(4-fluorophenyl)acetamide
CID 8965975
5-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]pentan-1-ol
CID 110923614
2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
CID 8966348
N-(4-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8965927
N-(2-chloro-4,6-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966903
N-(2,4-dimethylphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966249
4-[[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]amino]benzamide
CID 8966272
N-(2-bromophenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966479
N-[(2,3-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-N-methylacetamide
CID 8966714
N-(3,4-diethoxyphenyl)-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetamide
CID 8966690
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-methylcarbamoyl chloride
CID 115194745
ethyl 1-ethyl-4-[2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]acetyl]-2,5-dimethylpyrrole-3-carboxylate
CID 17401457

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroprop-2-enylsulfanylmethyl)-4-fluoro-1-methoxybenzene?
The IUPAC name of 2-(2-chloroprop-2-enylsulfanylmethyl)-4-fluoro-1-methoxybenzene (CID 86882684) is 2-(2-chloroprop-2-enylsulfanylmethyl)-4-fluoro-1-methoxybenzene.
What is the SMILES notation for 2-(2-chloroprop-2-enylsulfanylmethyl)-4-fluoro-1-methoxybenzene?
The canonical SMILES for 2-(2-chloroprop-2-enylsulfanylmethyl)-4-fluoro-1-methoxybenzene is C=C(Cl)CSCc1cc(F)ccc1OC.
What is the InChIKey of 2-(2-chloroprop-2-enylsulfanylmethyl)-4-fluoro-1-methoxybenzene?
The InChIKey is NXEVODPQKZUKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFOS/c1-8(12)6-15-7-9-5-10(13)3-4-11(9)14-2/h3-5H,1,6-7H2,2H3.
What are the key properties of 2-(2-chloroprop-2-enylsulfanylmethyl)-4-fluoro-1-methoxybenzene?
2-(2-chloroprop-2-enylsulfanylmethyl)-4-fluoro-1-methoxybenzene has a molecular weight of 246.73 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroprop-2-enylsulfanylmethyl)-4-fluoro-1-methoxybenzene is sourced from PubChem (CID 86882684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).