ethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate

C10H19FO2S — CID 129205535

IUPACethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate
SMILESCCOC(=O)C(C)(C)CC(C)(C)SF
InChIInChI=1S/C10H19FO2S/c1-6-13-8(12)9(2,3)7-10(4,5)14-11/h6-7H2,1-5H3
InChIKeyQZBFDXFLUKUTNT-UHFFFAOYSA-N
MW222.32 g/mol
LogP3.36
Rot. Bonds5

About ethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate

ethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate (PubChem CID 129205535) has the molecular formula C10H19FO2S and a molecular weight of 222.32 g/mol. Its IUPAC name is ethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate.

Molecular Properties

Compound Nameethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate
PubChem CID129205535
Molecular FormulaC10H19FO2S
Molecular Weight222.32 g/mol
Exact Mass222.11
IUPAC Nameethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate
SMILESCCOC(=O)C(C)(C)CC(C)(C)SF
InChIInChI=1S/C10H19FO2S/c1-6-13-8(12)9(2,3)7-10(4,5)14-11/h6-7H2,1-5H3
InChIKeyQZBFDXFLUKUTNT-UHFFFAOYSA-N
XLogP3.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-chloro-2,2,4,4-tetramethyl-5-oxopentanoate
CID 134256135
diethyl 4-chloro-2,2,4-trimethylhexanedioate
CID 131861412
ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate
CID 87257255
ethyl 2,2,5,5-tetramethyl-4-oxohexanoate
CID 88882076
ethyl 2,3-difluoro-2-methylpropanoate
CID 141351249
ethyl 3-chlorosulfanyloxy-2,2-dimethylpropanoate
CID 142554526
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
1-O-[2-(2-bromo-2-methylpropanoyl)oxyethyl] 5-O-ethyl 2-bromo-2,4,4-trimethylpentanedioate
CID 153452980
ethyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 129270991
ethyl 2-dimethylsilyl-2-fluoropropanoate
CID 154177182
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 4-bromo-7-hydroxy-2,2,4-trimethyl-5-oxoheptanoate
CID 147985446

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate?
The IUPAC name of ethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate (CID 129205535) is ethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate.
What is the SMILES notation for ethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate?
The canonical SMILES for ethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate is CCOC(=O)C(C)(C)CC(C)(C)SF.
What is the InChIKey of ethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate?
The InChIKey is QZBFDXFLUKUTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2S/c1-6-13-8(12)9(2,3)7-10(4,5)14-11/h6-7H2,1-5H3.
What are the key properties of ethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate?
ethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate has a molecular weight of 222.32 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluorosulfanyl-2,2,4-trimethylpentanoate is sourced from PubChem (CID 129205535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).