propyl (4S)-4-amino-5,5,5-trifluoropentanoate

C8H14F3NO2 — CID 153321766

IUPACpropyl (4S)-4-amino-5,5,5-trifluoropentanoate
SMILESCCCOC(=O)CC[C@H](N)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-5-14-7(13)4-3-6(12)8(9,10)11/h6H,2-5,12H2,1H3/t6-/m0/s1
InChIKeyOWWVOLXDVMYNHI-LURJTMIESA-N
MW213.20 g/mol
LogP1.61
Rot. Bonds5

About propyl (4S)-4-amino-5,5,5-trifluoropentanoate

propyl (4S)-4-amino-5,5,5-trifluoropentanoate (PubChem CID 153321766) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is propyl (4S)-4-amino-5,5,5-trifluoropentanoate.

Molecular Properties

Compound Namepropyl (4S)-4-amino-5,5,5-trifluoropentanoate
PubChem CID153321766
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Namepropyl (4S)-4-amino-5,5,5-trifluoropentanoate
SMILESCCCOC(=O)CC[C@H](N)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-2-5-14-7(13)4-3-6(12)8(9,10)11/h6H,2-5,12H2,1H3/t6-/m0/s1
InChIKeyOWWVOLXDVMYNHI-LURJTMIESA-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

propan-2-yl (4S)-4-amino-5,5,5-trifluoropentanoate
CID 153321783
methane;propyl butanoate
CID 157187060
dipropyl 2-hydroxypentanedioate
CID 141161532
dipropyl (2R)-2-hydroxypentanedioate
CID 101034397
diethyl 4-(trifluoromethyl)heptanedioate
CID 102090199
dipropyl 4,7-dioxodecanedioate
CID 174356334
propyl 3-hydroxypropanoate
CID 12778693
ethyl 3-amino-4,4,4-trifluorobutanoate
CID 2774311
2-butanoyloxyethyl butanoate;methane
CID 161018761
dipropyl 4-methylpentadecanedioate
CID 87116184
dipropyl 4-methylicosanedioate
CID 87117067
propyl 3-aminobutanoate
CID 43247954

Frequently Asked Questions

What is the IUPAC name of propyl (4S)-4-amino-5,5,5-trifluoropentanoate?
The IUPAC name of propyl (4S)-4-amino-5,5,5-trifluoropentanoate (CID 153321766) is propyl (4S)-4-amino-5,5,5-trifluoropentanoate.
What is the SMILES notation for propyl (4S)-4-amino-5,5,5-trifluoropentanoate?
The canonical SMILES for propyl (4S)-4-amino-5,5,5-trifluoropentanoate is CCCOC(=O)CC[C@H](N)C(F)(F)F.
What is the InChIKey of propyl (4S)-4-amino-5,5,5-trifluoropentanoate?
The InChIKey is OWWVOLXDVMYNHI-LURJTMIESA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-2-5-14-7(13)4-3-6(12)8(9,10)11/h6H,2-5,12H2,1H3/t6-/m0/s1.
What are the key properties of propyl (4S)-4-amino-5,5,5-trifluoropentanoate?
propyl (4S)-4-amino-5,5,5-trifluoropentanoate 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 propyl (4S)-4-amino-5,5,5-trifluoropentanoate is sourced from PubChem (CID 153321766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).