ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate

C9H16F2O3 — CID 165462467

IUPACethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate
SMILESCCOC(=O)C(F)(F)COCC(C)C
InChIInChI=1S/C9H16F2O3/c1-4-14-8(12)9(10,11)6-13-5-7(2)3/h7H,4-6H2,1-3H3
InChIKeyDXFDFCRGNZFZBU-UHFFFAOYSA-N
MW210.22 g/mol
LogP1.86
Rot. Bonds6

About ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate

ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate (PubChem CID 165462467) has the molecular formula C9H16F2O3 and a molecular weight of 210.22 g/mol. Its IUPAC name is ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate
PubChem CID165462467
Molecular FormulaC9H16F2O3
Molecular Weight210.22 g/mol
Exact Mass210.11
IUPAC Nameethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate
SMILESCCOC(=O)C(F)(F)COCC(C)C
InChIInChI=1S/C9H16F2O3/c1-4-14-8(12)9(10,11)6-13-5-7(2)3/h7H,4-6H2,1-3H3
InChIKeyDXFDFCRGNZFZBU-UHFFFAOYSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,2-difluoro-3-prop-2-enoxypropanoate
CID 165466610
ethyl 3-(cyclopropylmethoxy)-2,2-difluoropropanoate
CID 165466612
2-ethoxycarbonyl-2-ethyl-4-(2-methylpropoxy)butanoic acid
CID 106460140
diethyl 2-fluoro-2-propan-2-ylpropanedioate
CID 88536481
ethyl 4-chloro-2,2-difluoro-4-oxobutanoate
CID 139536341
diethyl 2,2,9,9-tetrafluorodecanedioate
CID 10065200
ethyl (2S)-2-amino-4-methyl-2-(trifluoromethyl)pentanoate
CID 15858333
ethyl 2-amino-3-(2,2-difluoroethoxy)-2-methylpropanoate
CID 82005500
ethyl 2,2-difluoro-4-methoxybutanoate
CID 154655517
ethyl (2S)-2-amino-3-methyl-2-(trifluoromethyl)butanoate
CID 10846253
ethyl 2,2-difluoro-3-hydroxy-3,6-dimethylheptanoate
CID 62398779
2-ethoxycarbonyl-4-methyl-2-(2,2,2-trifluoroethoxymethyl)pentanoic acid
CID 106706790

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate?
The IUPAC name of ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate (CID 165462467) is ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate.
What is the SMILES notation for ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate?
The canonical SMILES for ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate is CCOC(=O)C(F)(F)COCC(C)C.
What is the InChIKey of ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate?
The InChIKey is DXFDFCRGNZFZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O3/c1-4-14-8(12)9(10,11)6-13-5-7(2)3/h7H,4-6H2,1-3H3.
What are the key properties of ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate?
ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate has a molecular weight of 210.22 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-3-(2-methylpropoxy)propanoate is sourced from PubChem (CID 165462467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).