ethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride

C8H14ClF2NO2 — CID 119032090

IUPACethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride
SMILESCCOC(=O)C(F)(F)C(N)C1CC1.Cl
InChIInChI=1S/C8H13F2NO2.ClH/c1-2-13-7(12)8(9,10)6(11)5-3-4-5;/h5-6H,2-4,11H2,1H3;1H
InChIKeyIMFSDKLJZQVOFZ-UHFFFAOYSA-N
MW229.65 g/mol
LogP1.34
Rot. Bonds4

About ethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride

ethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride (PubChem CID 119032090) has the molecular formula C8H14ClF2NO2 and a molecular weight of 229.65 g/mol. Its IUPAC name is ethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride
PubChem CID119032090
Molecular FormulaC8H14ClF2NO2
Molecular Weight229.65 g/mol
Exact Mass229.07
IUPAC Nameethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride
SMILESCCOC(=O)C(F)(F)C(N)C1CC1.Cl
InChIInChI=1S/C8H13F2NO2.ClH/c1-2-13-7(12)8(9,10)6(11)5-3-4-5;/h5-6H,2-4,11H2,1H3;1H
InChIKeyIMFSDKLJZQVOFZ-UHFFFAOYSA-N
XLogP1.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.65
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(4-tert-butylcyclohexyl)-2,2-difluoro-3-hydroxypropanoate
CID 104575915
ethyl (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoate;hydrochloride
CID 70060480
ethyl 2,2-difluoro-3-hydroxy-3-(oxan-4-yl)propanoate
CID 62396778
ethyl (3R,4S)-4-amino-5-cyclohexyl-2,2-difluoro-3-hydroxypentanoate
CID 22849150
ethyl 3-amino-2,2-difluoro-4-methylpentanoate
CID 165438541
ethyl 2,2-difluoro-3-hydroxy-6-methylheptanoate
CID 154300187
ethyl 4-amino-2,2-difluoro-3-hydroxy-5-methylhexanoate
CID 14503329
ethyl 2-cyclopropyl-2-fluoroacetate
CID 171409758
ethyl 2-bromo-3-cyclohexyl-2-fluoro-3-hydroxypropanoate
CID 14936847
ethyl (2S,3R)-2-bromo-3-cyclohexyl-2-fluoro-3-hydroxypropanoate
CID 11120034
ethyl 2,2-difluoro-2-(1-hydroxy-4-propan-2-ylcyclohexyl)acetate
CID 62703756
ethyl (2S)-2-amino-3,3-dicyclopropylpropanoate
CID 166888475

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride?
The IUPAC name of ethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride (CID 119032090) is ethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride.
What is the SMILES notation for ethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride?
The canonical SMILES for ethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride is CCOC(=O)C(F)(F)C(N)C1CC1.Cl.
What is the InChIKey of ethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride?
The InChIKey is IMFSDKLJZQVOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2.ClH/c1-2-13-7(12)8(9,10)6(11)5-3-4-5;/h5-6H,2-4,11H2,1H3;1H.
What are the key properties of ethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride?
ethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride has a molecular weight of 229.65 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride is sourced from PubChem (CID 119032090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).