methyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate

C8H15F2NO2 — CID 105448765

IUPACmethyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate
SMILESCCC(CN)(C(=O)OC)C(C)(F)F
InChIInChI=1S/C8H15F2NO2/c1-4-8(5-11,6(12)13-3)7(2,9)10/h4-5,11H2,1-3H3
InChIKeyKEDSIWOUQMQWQS-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.17
Rot. Bonds4

About methyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate

methyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate (PubChem CID 105448765) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate
PubChem CID105448765
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Namemethyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate
SMILESCCC(CN)(C(=O)OC)C(C)(F)F
InChIInChI=1S/C8H15F2NO2/c1-4-8(5-11,6(12)13-3)7(2,9)10/h4-5,11H2,1-3H3
InChIKeyKEDSIWOUQMQWQS-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

Ethyl 2-(aminomethyl)-2-ethylbutanoate
CID 14882781
Methyl 2-(aminomethyl)-2-ethylbutanoate hydrochloride
CID 71756963
Methyl 3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate hydrochloride
CID 145915662
Methyl 1-(aminomethyl)-2,2-difluorocyclopropane-1-carboxylate hydrochloride
CID 146155600
methyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate hydrochloride
CID 165669579
methyl (3S)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate hydrochloride
CID 165669865
methyl (3S)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate
CID 60197258
Methyl 2-(aminomethyl)-2-ethylbutanoate
CID 62596586
methyl (2R,3R)-3-amino-2-ethyl-4,4,4-trifluorobutanoate
CID 140273169
ethyl (3S)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate
CID 140273175
methyl (3R)-3-amino-4,4,4-trifluoro-2,2-dimethylbutanoate
CID 140273183
butyl (3R)-3-amino-2,2-diethyl-4,4,4-trifluorobutanoate
CID 140273188

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate?
The IUPAC name of methyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate (CID 105448765) is methyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate.
What is the SMILES notation for methyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate?
The canonical SMILES for methyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate is CCC(CN)(C(=O)OC)C(C)(F)F.
What is the InChIKey of methyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate?
The InChIKey is KEDSIWOUQMQWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-4-8(5-11,6(12)13-3)7(2,9)10/h4-5,11H2,1-3H3.
What are the key properties of methyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate?
methyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate 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 methyl 2-(aminomethyl)-2-ethyl-3,3-difluorobutanoate is sourced from PubChem (CID 105448765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).