ethyl 2-fluoro-2-methylpentanoate

C8H15FO2 — CID 157367290

IUPACethyl 2-fluoro-2-methylpentanoate
SMILESCCCC(C)(F)C(=O)OCC
InChIInChI=1S/C8H15FO2/c1-4-6-8(3,9)7(10)11-5-2/h4-6H2,1-3H3
InChIKeyVYVGIEXDWMYCAJ-UHFFFAOYSA-N
MW162.20 g/mol
LogP2.08
Rot. Bonds4

About ethyl 2-fluoro-2-methylpentanoate

ethyl 2-fluoro-2-methylpentanoate (PubChem CID 157367290) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is ethyl 2-fluoro-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-methylpentanoate
PubChem CID157367290
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Nameethyl 2-fluoro-2-methylpentanoate
SMILESCCCC(C)(F)C(=O)OCC
InChIInChI=1S/C8H15FO2/c1-4-6-8(3,9)7(10)11-5-2/h4-6H2,1-3H3
InChIKeyVYVGIEXDWMYCAJ-UHFFFAOYSA-N
XLogP2.08
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (2R)-3-amino-2-fluoro-2-methylpropanoate
CID 14273517
ethyl 2,3-difluoro-2-methylpropanoate
CID 141351249
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
3-O-tert-butyl 1-O-ethyl (2R)-2-fluoro-2-methylpropanedioate
CID 126688340
ethyl 2-methyl-2-(2,2,3,3,3-pentafluoropropanoyloxymethyl)pentanoate
CID 129082246
2-fluoro-2-methylpentanamide
CID 134346431
diethyl 2,2,9,9-tetrafluorodecanedioate
CID 10065200
ethyl 4-chloro-2,2-difluoro-4-oxobutanoate
CID 139536341
3-ethoxycarbonyl-2,3-dihydroxy-2-propylhexanoic acid
CID 174855975
ethyl 2-methyl-2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]oxymethyl]pentanoate
CID 129082252
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347
diethyl 2,2,4,4-tetrafluoro-3-oxopentanedioate
CID 86616588

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-methylpentanoate?
The IUPAC name of ethyl 2-fluoro-2-methylpentanoate (CID 157367290) is ethyl 2-fluoro-2-methylpentanoate.
What is the SMILES notation for ethyl 2-fluoro-2-methylpentanoate?
The canonical SMILES for ethyl 2-fluoro-2-methylpentanoate is CCCC(C)(F)C(=O)OCC.
What is the InChIKey of ethyl 2-fluoro-2-methylpentanoate?
The InChIKey is VYVGIEXDWMYCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c1-4-6-8(3,9)7(10)11-5-2/h4-6H2,1-3H3.
What are the key properties of ethyl 2-fluoro-2-methylpentanoate?
ethyl 2-fluoro-2-methylpentanoate has a molecular weight of 162.20 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-methylpentanoate is sourced from PubChem (CID 157367290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).