ethyl 3-amino-2,2-difluoro-4-methylpentanoate

C8H15F2NO2 — CID 165438541

IUPACethyl 3-amino-2,2-difluoro-4-methylpentanoate
SMILESCCOC(=O)C(F)(F)C(N)C(C)C
InChIInChI=1S/C8H15F2NO2/c1-4-13-7(12)8(9,10)6(11)5(2)3/h5-6H,4,11H2,1-3H3
InChIKeyOYTLLOFDSFZSGJ-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.17
Rot. Bonds4

About ethyl 3-amino-2,2-difluoro-4-methylpentanoate

ethyl 3-amino-2,2-difluoro-4-methylpentanoate (PubChem CID 165438541) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is ethyl 3-amino-2,2-difluoro-4-methylpentanoate.

Molecular Properties

Compound Nameethyl 3-amino-2,2-difluoro-4-methylpentanoate
PubChem CID165438541
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Nameethyl 3-amino-2,2-difluoro-4-methylpentanoate
SMILESCCOC(=O)C(F)(F)C(N)C(C)C
InChIInChI=1S/C8H15F2NO2/c1-4-13-7(12)8(9,10)6(11)5(2)3/h5-6H,4,11H2,1-3H3
InChIKeyOYTLLOFDSFZSGJ-UHFFFAOYSA-N
XLogP1.17
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 14503329
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diethyl 2-fluoro-2-propan-2-ylpropanedioate
CID 88536481
ethyl (3S)-3-(dimethylamino)-3-ethoxy-2,2-difluoropropanoate
CID 86312455
ethyl 3-amino-3-cyclopropyl-2,2-difluoropropanoate;hydrochloride
CID 119032090
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CID 10846253
ethyl (4R)-2,2-difluoro-3,4,5-trihydroxypentanoate
CID 143803967
ethyl 2,2-difluoro-4-methyl-3-(prop-2-enylamino)pentanoate
CID 135037835
ethyl (3S)-3-amino-3-(4-tert-butylphenyl)-2,2-difluoropropanoate;hydrochloride
CID 171246981
triethyl 2-fluoroethane-1,1,1-tricarboxylate
CID 24796347
ethyl (2R)-2-amino-2-fluoropropanoate
CID 57210654
ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate
CID 13141611

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-2,2-difluoro-4-methylpentanoate?
The IUPAC name of ethyl 3-amino-2,2-difluoro-4-methylpentanoate (CID 165438541) is ethyl 3-amino-2,2-difluoro-4-methylpentanoate.
What is the SMILES notation for ethyl 3-amino-2,2-difluoro-4-methylpentanoate?
The canonical SMILES for ethyl 3-amino-2,2-difluoro-4-methylpentanoate is CCOC(=O)C(F)(F)C(N)C(C)C.
What is the InChIKey of ethyl 3-amino-2,2-difluoro-4-methylpentanoate?
The InChIKey is OYTLLOFDSFZSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-4-13-7(12)8(9,10)6(11)5(2)3/h5-6H,4,11H2,1-3H3.
What are the key properties of ethyl 3-amino-2,2-difluoro-4-methylpentanoate?
ethyl 3-amino-2,2-difluoro-4-methylpentanoate has a molecular weight of 195.21 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-2,2-difluoro-4-methylpentanoate is sourced from PubChem (CID 165438541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).