2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone

C10H11FO2S — CID 15043870

IUPAC2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone
SMILESCOCSc1ccc(C(=O)CF)cc1
InChIInChI=1S/C10H11FO2S/c1-13-7-14-9-4-2-8(3-5-9)10(12)6-11/h2-5H,6-7H2,1H3
InChIKeyDLVVMIWBCQMFHZ-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.53
Rot. Bonds5

About 2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone

2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone (PubChem CID 15043870) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone.

Molecular Properties

Compound Name2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone
PubChem CID15043870
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Name2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone
SMILESCOCSc1ccc(C(=O)CF)cc1
InChIInChI=1S/C10H11FO2S/c1-13-7-14-9-4-2-8(3-5-9)10(12)6-11/h2-5H,6-7H2,1H3
InChIKeyDLVVMIWBCQMFHZ-UHFFFAOYSA-N
XLogP2.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-(methoxymethylsulfanyl)phenyl]methanol
CID 21036167
2-[4-(methoxymethylsulfanyl)phenyl]butanoic acid
CID 69059196
1-[4-(2-fluoroacetyl)phenyl]-2-hydroxyethanone
CID 58149469
2-fluoro-1-(4-iodophenyl)ethanone
CID 87150711
4-(methoxymethylsulfanyl)-N,N-dimethylaniline
CID 3329561
4-(methoxymethylsulfanyl)pyridine
CID 127008965
2-(methoxymethylsulfanyl)naphthalene
CID 54008940
1-(4-ethylsulfanylphenyl)butan-1-one
CID 82052811
2-fluoro-1-(4-phenoxyphenyl)ethanone
CID 141218544
2-bromo-1-(4-ethylsulfanylphenyl)ethanone
CID 12862101
3,3,3-trifluoro-1-(4-methylsulfanylphenyl)propan-1-one
CID 18183658
3-[4-(2,2-dimethoxyethylsulfanyl)phenyl]-3-oxopropanenitrile
CID 154218740

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone?
The IUPAC name of 2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone (CID 15043870) is 2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone.
What is the SMILES notation for 2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone?
The canonical SMILES for 2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone is COCSc1ccc(C(=O)CF)cc1.
What is the InChIKey of 2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone?
The InChIKey is DLVVMIWBCQMFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2S/c1-13-7-14-9-4-2-8(3-5-9)10(12)6-11/h2-5H,6-7H2,1H3.
What are the key properties of 2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone?
2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone has a molecular weight of 214.26 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-[4-(methoxymethylsulfanyl)phenyl]ethanone is sourced from PubChem (CID 15043870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).