propan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate

C8H14F3NO2 — CID 153321783

IUPACpropan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate
SMILESCC(C)OC(=O)CC[C@H](N)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(2)14-7(13)4-3-6(12)8(9,10)11/h5-6H,3-4,12H2,1-2H3/t6-/m0/s1
InChIKeyADCOTVDMUXZCFJ-LURJTMIESA-N
MW213.20 g/mol
LogP1.61
Rot. Bonds4

About propan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate

propan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate (PubChem CID 153321783) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is propan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate.

Molecular Properties

Compound Namepropan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate
PubChem CID153321783
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Namepropan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate
SMILESCC(C)OC(=O)CC[C@H](N)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-5(2)14-7(13)4-3-6(12)8(9,10)11/h5-6H,3-4,12H2,1-2H3/t6-/m0/s1
InChIKeyADCOTVDMUXZCFJ-LURJTMIESA-N
XLogP1.61
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

propyl (4S)-4-amino-5,5,5-trifluoropentanoate
CID 153321766
dipropan-2-yl 4-hydroxyheptanedioate
CID 14639378
propan-2-yl (3R)-4,4,4-trifluoro-3-methylbutanoate
CID 158265536
propan-2-yl 4,4-bis[(1,1-difluoro-2-oxo-2-propan-2-yloxyethyl)sulfonyl]butanoate
CID 118886338
dipropan-2-yl 2-(trifluoromethyl)butanedioate
CID 23241115
propan-2-yl 4,6-dimethylheptanoate
CID 134189436
propan-2-yl 3,3,3-trifluoro-2-methylpropanoate
CID 13183702
bis(1-aminoethyl) pentanedioate
CID 155104048
propan-2-yl 6-methylheptanoate
CID 23338189
ethyl 3-amino-4,4,4-trifluorobutanoate
CID 2774311
5-O-ethyl 1-O-propan-2-yl 2-aminopentanedioate
CID 89267661
dipropan-2-yl 4-methyloctadecanedioate
CID 87117331

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate?
The IUPAC name of propan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate (CID 153321783) is propan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate.
What is the SMILES notation for propan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate?
The canonical SMILES for propan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate is CC(C)OC(=O)CC[C@H](N)C(F)(F)F.
What is the InChIKey of propan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate?
The InChIKey is ADCOTVDMUXZCFJ-LURJTMIESA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-5(2)14-7(13)4-3-6(12)8(9,10)11/h5-6H,3-4,12H2,1-2H3/t6-/m0/s1.
What are the key properties of propan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate?
propan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate has a molecular weight of 213.20 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate is sourced from PubChem (CID 153321783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).