ethyl 4-amino-2,2-difluorodecanoate;hydrochloride

C12H24ClF2NO2 — CID 78166301

IUPACethyl 4-amino-2,2-difluorodecanoate;hydrochloride
SMILESCCCCCCC(N)CC(F)(F)C(=O)OCC.Cl
InChIInChI=1S/C12H23F2NO2.ClH/c1-3-5-6-7-8-10(15)9-12(13,14)11(16)17-4-2;/h10H,3-9,15H2,1-2H3;1H
InChIKeyVPHXJTVKQRTUMU-UHFFFAOYSA-N
MW287.78 g/mol
LogP3.29
Rot. Bonds9

About ethyl 4-amino-2,2-difluorodecanoate;hydrochloride

ethyl 4-amino-2,2-difluorodecanoate;hydrochloride (PubChem CID 78166301) has the molecular formula C12H24ClF2NO2 and a molecular weight of 287.78 g/mol. Its IUPAC name is ethyl 4-amino-2,2-difluorodecanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-amino-2,2-difluorodecanoate;hydrochloride
PubChem CID78166301
Molecular FormulaC12H24ClF2NO2
Molecular Weight287.78 g/mol
Exact Mass287.15
IUPAC Nameethyl 4-amino-2,2-difluorodecanoate;hydrochloride
SMILESCCCCCCC(N)CC(F)(F)C(=O)OCC.Cl
InChIInChI=1S/C12H23F2NO2.ClH/c1-3-5-6-7-8-10(15)9-12(13,14)11(16)17-4-2;/h10H,3-9,15H2,1-2H3;1H
InChIKeyVPHXJTVKQRTUMU-UHFFFAOYSA-N
XLogP3.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.78
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl (4S)-4-amino-2,2-difluorodecanoate
CID 71741834
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CID 146165122
ethyl 4-bromo-2,2-difluoro-8-hydroxyoctanoate
CID 162537304
diethyl 2,2,9,9-tetrafluorodecanedioate
CID 10065200
diethyl 2-butyl-2-pentadecan-6-ylpropanedioate
CID 58860149
ethyl (2S)-2-amino-5,5,5-trifluoropentanoate;hydrochloride
CID 154727174
ethyl 4-deuterio-2,2-difluorooctanoate
CID 10375803
ethyl 2,2-difluoro-2-heptoxyacetate
CID 66452205
ethyl 2,2-difluoro-4-iodo-3-methylundecanoate
CID 153324362
diethyl 2-(2-methylpropyl)-2-pentylpropanedioate
CID 103972771
ethyl (2R)-2-amino-5,5,5-trifluoropentanoate
CID 95378431
ethyl 2-ethyldocosanoate
CID 175304380

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2,2-difluorodecanoate;hydrochloride?
The IUPAC name of ethyl 4-amino-2,2-difluorodecanoate;hydrochloride (CID 78166301) is ethyl 4-amino-2,2-difluorodecanoate;hydrochloride.
What is the SMILES notation for ethyl 4-amino-2,2-difluorodecanoate;hydrochloride?
The canonical SMILES for ethyl 4-amino-2,2-difluorodecanoate;hydrochloride is CCCCCCC(N)CC(F)(F)C(=O)OCC.Cl.
What is the InChIKey of ethyl 4-amino-2,2-difluorodecanoate;hydrochloride?
The InChIKey is VPHXJTVKQRTUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO2.ClH/c1-3-5-6-7-8-10(15)9-12(13,14)11(16)17-4-2;/h10H,3-9,15H2,1-2H3;1H.
What are the key properties of ethyl 4-amino-2,2-difluorodecanoate;hydrochloride?
ethyl 4-amino-2,2-difluorodecanoate;hydrochloride has a molecular weight of 287.78 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2,2-difluorodecanoate;hydrochloride is sourced from PubChem (CID 78166301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).