ethyl (5R)-5-amino-6,6,6-trifluorohexanoate

C8H14F3NO2 — CID 153321774

IUPACethyl (5R)-5-amino-6,6,6-trifluorohexanoate
SMILESCCOC(=O)CCC[C@@H](N)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-14-7(13)5-3-4-6(12)8(9,10)11/h6H,2-5,12H2,1H3/t6-/m1/s1
InChIKeyXKISSYZZOANLNC-ZCFIWIBFSA-N
MW213.20 g/mol
LogP1.61
Rot. Bonds5

About ethyl (5R)-5-amino-6,6,6-trifluorohexanoate

ethyl (5R)-5-amino-6,6,6-trifluorohexanoate (PubChem CID 153321774) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is ethyl (5R)-5-amino-6,6,6-trifluorohexanoate.

Molecular Properties

Compound Nameethyl (5R)-5-amino-6,6,6-trifluorohexanoate
PubChem CID153321774
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Nameethyl (5R)-5-amino-6,6,6-trifluorohexanoate
SMILESCCOC(=O)CCC[C@@H](N)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-14-7(13)5-3-4-6(12)8(9,10)11/h6H,2-5,12H2,1H3/t6-/m1/s1
InChIKeyXKISSYZZOANLNC-ZCFIWIBFSA-N
XLogP1.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4,4,5,5,6,6,6-heptafluoronorleucinate
CID 62962579
(5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]oxolan-2-one
CID 130982547
Ethyl 2-amino-6,6,6-trifluorohexanoate
CID 66518203
2,2,2-Trifluoroethyl 5,6-diaminohexanoate
CID 87578469
[(5R)-5-aminohexyl] 2,2,2-trifluoroacetate
CID 88924333
5-Aminohexyl 2,2,2-trifluoroacetate
CID 123153600
ethyl (5S)-5-amino-6,6,6-trifluorohexanoate
CID 152405664
methyl (5R)-5-amino-6,6,6-trifluorohexanoate
CID 153321758
methyl (5S)-5-amino-6,6,6-trifluorohexanoate
CID 153321759
propyl (5R)-5-amino-6,6,6-trifluorohexanoate
CID 153321760
tert-butyl (5R)-5-amino-6,6,6-trifluorohexanoate
CID 153321762
2-methylpropyl (5S)-5-amino-6,6,6-trifluorohexanoate
CID 153321763

Frequently Asked Questions

What is the IUPAC name of ethyl (5R)-5-amino-6,6,6-trifluorohexanoate?
The IUPAC name of ethyl (5R)-5-amino-6,6,6-trifluorohexanoate (CID 153321774) is ethyl (5R)-5-amino-6,6,6-trifluorohexanoate.
What is the SMILES notation for ethyl (5R)-5-amino-6,6,6-trifluorohexanoate?
The canonical SMILES for ethyl (5R)-5-amino-6,6,6-trifluorohexanoate is CCOC(=O)CCC[C@@H](N)C(F)(F)F.
What is the InChIKey of ethyl (5R)-5-amino-6,6,6-trifluorohexanoate?
The InChIKey is XKISSYZZOANLNC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-2-14-7(13)5-3-4-6(12)8(9,10)11/h6H,2-5,12H2,1H3/t6-/m1/s1.
What are the key properties of ethyl (5R)-5-amino-6,6,6-trifluorohexanoate?
ethyl (5R)-5-amino-6,6,6-trifluorohexanoate has a molecular weight of 213.20 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (5R)-5-amino-6,6,6-trifluorohexanoate is sourced from PubChem (CID 153321774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).