fluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene

C14H25FO3S — CID 54335961

IUPACfluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene
SMILESCC(C)=O.CF.COS(C)=O.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C3H6O.C2H6O2S.CH3F/c1-7-3-5-8(2)6-4-7;1-3(2)4;1-4-5(2)3;1-2/h3-6H,1-2H3;1-2H3;1-2H3;1H3
InChIKeyTVMFNAFPEHELKP-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.41
Rot. Bonds1

About fluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene

fluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene (PubChem CID 54335961) has the molecular formula C14H25FO3S and a molecular weight of 292.42 g/mol. Its IUPAC name is fluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene.

Molecular Properties

Compound Namefluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene
PubChem CID54335961
Molecular FormulaC14H25FO3S
Molecular Weight292.42 g/mol
Exact Mass292.15
IUPAC Namefluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene
SMILESCC(C)=O.CF.COS(C)=O.Cc1ccc(C)cc1
InChIInChI=1S/C8H10.C3H6O.C2H6O2S.CH3F/c1-7-3-5-8(2)6-4-7;1-3(2)4;1-4-5(2)3;1-2/h3-6H,1-2H3;1-2H3;1-2H3;1H3
InChIKeyTVMFNAFPEHELKP-UHFFFAOYSA-N
XLogP3.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 4-methylbenzoate tritetrafluoroborate
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palladium(2+);tris(4-methylphenyl)phosphane;diacetate
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sodium;propan-2-one;toluene;hydroxide
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Frequently Asked Questions

What is the IUPAC name of fluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene?
The IUPAC name of fluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene (CID 54335961) is fluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene.
What is the SMILES notation for fluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene?
The canonical SMILES for fluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene is CC(C)=O.CF.COS(C)=O.Cc1ccc(C)cc1.
What is the InChIKey of fluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene?
The InChIKey is TVMFNAFPEHELKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10.C3H6O.C2H6O2S.CH3F/c1-7-3-5-8(2)6-4-7;1-3(2)4;1-4-5(2)3;1-2/h3-6H,1-2H3;1-2H3;1-2H3;1H3.
What are the key properties of fluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene?
fluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene has a molecular weight of 292.42 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;methyl methanesulfinate;propan-2-one;1,4-xylene is sourced from PubChem (CID 54335961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).