ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate

C8H10F7NO2 — CID 171210387

IUPACethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate
SMILESCCOC(=O)C[C@@H](N)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7NO2/c1-2-18-5(17)3-4(16)6(9,10)7(11,12)8(13,14)15/h4H,2-3,16H2,1H3/t4-/m1/s1
InChIKeyJPTVJUJBLGMRMA-SCSAIBSYSA-N
MW285.16 g/mol
LogP2.10
Rot. Bonds5

About ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate

ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate (PubChem CID 171210387) has the molecular formula C8H10F7NO2 and a molecular weight of 285.16 g/mol. Its IUPAC name is ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate.

Molecular Properties

Compound Nameethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate
PubChem CID171210387
Molecular FormulaC8H10F7NO2
Molecular Weight285.16 g/mol
Exact Mass285.06
IUPAC Nameethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate
SMILESCCOC(=O)C[C@@H](N)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7NO2/c1-2-18-5(17)3-4(16)6(9,10)7(11,12)8(13,14)15/h4H,2-3,16H2,1H3/t4-/m1/s1
InChIKeyJPTVJUJBLGMRMA-SCSAIBSYSA-N
XLogP2.10
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3-amino-4,4,4-trifluorobutanoate
CID 2774311
ethyl 7-chloro-4,4,5,5,6,6,7,7-octafluoro-3-methylheptanoate
CID 15751750
ethyl 3,4,4,5,5,5-hexafluoro-3-(trifluoromethyl)pentanoate
CID 170871929
(3R)-4,4,5,5,6,6,6-heptafluorohexan-3-amine;hydrochloride
CID 171210343
ethyl 3-amino-5-fluoro-4-hydroxy-4-methoxypentanoate
CID 170060341
ethyl 3,4,4,4-tetrafluoro-3-(trifluoromethyl)butanoate
CID 170871932
ethyl (3S)-3-bromo-4,4,4-trifluorobutanoate
CID 96565618
ethyl (3S)-4,4-difluoro-3-hydroxypentanoate
CID 122595250
ethyl 3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-octadecafluoro-3-methylundecanoate
CID 139719370
ethyl 3-amino-5-iodo-4,4-dimethoxypentanoate
CID 170059617
ethyl 4,4,4-trifluoro-3-hydrazinylbutanoate
CID 154016508
ethyl (3R)-3-methylpentanoate
CID 7567160

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate?
The IUPAC name of ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate (CID 171210387) is ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate.
What is the SMILES notation for ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate?
The canonical SMILES for ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate is CCOC(=O)C[C@@H](N)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate?
The InChIKey is JPTVJUJBLGMRMA-SCSAIBSYSA-N. The full InChI is InChI=1S/C8H10F7NO2/c1-2-18-5(17)3-4(16)6(9,10)7(11,12)8(13,14)15/h4H,2-3,16H2,1H3/t4-/m1/s1.
What are the key properties of ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate?
ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate has a molecular weight of 285.16 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-amino-4,4,5,5,6,6,6-heptafluorohexanoate is sourced from PubChem (CID 171210387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).