ethyl 3-(diethylamino)-2,2-difluoropropanoate

C9H17F2NO2 — CID 165462846

IUPACethyl 3-(diethylamino)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)CN(CC)CC
InChIInChI=1S/C9H17F2NO2/c1-4-12(5-2)7-9(10,11)8(13)14-6-3/h4-7H2,1-3H3
InChIKeyICCQNTJUBRYZTM-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.53
Rot. Bonds6

About ethyl 3-(diethylamino)-2,2-difluoropropanoate

ethyl 3-(diethylamino)-2,2-difluoropropanoate (PubChem CID 165462846) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 3-(diethylamino)-2,2-difluoropropanoate.

Molecular Properties

Compound Nameethyl 3-(diethylamino)-2,2-difluoropropanoate
PubChem CID165462846
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Nameethyl 3-(diethylamino)-2,2-difluoropropanoate
SMILESCCOC(=O)C(F)(F)CN(CC)CC
InChIInChI=1S/C9H17F2NO2/c1-4-12(5-2)7-9(10,11)8(13)14-6-3/h4-7H2,1-3H3
InChIKeyICCQNTJUBRYZTM-UHFFFAOYSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2,2-difluoro-3-[methoxy(methyl)amino]propanoate
CID 165462568
ethyl 4-chloro-2,2-difluoro-4-oxobutanoate
CID 139536341
diethyl 2,2,9,9-tetrafluorodecanedioate
CID 10065200
ethyl 2,2-difluoro-3-methylsulfinylpropanoate
CID 165462653
ethyl 2,2-difluoro-3-[methyl(prop-2-enyl)amino]propanoate
CID 165461961
ethyl 6-bromo-2,2-difluorohexanoate
CID 71371141
ethyl 2,2-difluoro-4-methoxybutanoate
CID 154655517
diethyl 2-(diethylaminomethyl)-2-formamidopropanedioate
CID 10637088
ethyl 6,6,6-trifluoro-2,2-dimethyl-3-oxohexanoate
CID 79964069
diethyl 2-(diethylaminomethyl)-2-prop-2-enylpropanedioate chloride
CID 21204581
ethyl 2-fluoro-2-methylpentanoate
CID 157367290
ethyl 2,2-difluoro-5-oxoheptanoate
CID 102436729

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(diethylamino)-2,2-difluoropropanoate?
The IUPAC name of ethyl 3-(diethylamino)-2,2-difluoropropanoate (CID 165462846) is ethyl 3-(diethylamino)-2,2-difluoropropanoate.
What is the SMILES notation for ethyl 3-(diethylamino)-2,2-difluoropropanoate?
The canonical SMILES for ethyl 3-(diethylamino)-2,2-difluoropropanoate is CCOC(=O)C(F)(F)CN(CC)CC.
What is the InChIKey of ethyl 3-(diethylamino)-2,2-difluoropropanoate?
The InChIKey is ICCQNTJUBRYZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-4-12(5-2)7-9(10,11)8(13)14-6-3/h4-7H2,1-3H3.
What are the key properties of ethyl 3-(diethylamino)-2,2-difluoropropanoate?
ethyl 3-(diethylamino)-2,2-difluoropropanoate has a molecular weight of 209.24 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(diethylamino)-2,2-difluoropropanoate is sourced from PubChem (CID 165462846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).