[(5R)-5-aminohexyl] 2,2,2-trifluoroacetate

C8H14F3NO2 — CID 88924333

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

About [(5R)-5-aminohexyl] 2,2,2-trifluoroacetate

[(5R)-5-aminohexyl] 2,2,2-trifluoroacetate (PubChem CID 88924333) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is [(5R)-5-aminohexyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(5R)-5-aminohexyl] 2,2,2-trifluoroacetate
PubChem CID88924333
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name[(5R)-5-aminohexyl] 2,2,2-trifluoroacetate
SMILESC[C@@H](N)CCCCOC(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(12)4-2-3-5-14-7(13)8(9,10)11/h6H,2-5,12H2,1H3/t6-/m1/s1
InChIKeyUCFCRNIKKWCAOB-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

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(2,2,2-trifluoroacetyl)oxybutoxy]butyl 2,2,2-trifluoroacetate
CID 91692720
sodium;dodecyl 2,2,2-trifluoroacetate;hydride
CID 175457015
3-(3-methylbutylamino)propyl 2,2,2-trifluoroacetate
CID 82531989
tricosyl 2,2,2-trifluoroacetate
CID 14574257
tetracosyl 2,2,2-trifluoroacetate
CID 91692950
octyl 2,2,2-trifluoroacetate
CID 520219
bis(6-methylheptyl) 2,2,3,3-tetrafluorobutanedioate
CID 174482724
4-aminopentyl 3-amino-2,2-dimethylbutanoate
CID 163464573
nonan-2-amine;2,2,2-trifluoroacetic acid
CID 154996434
[(E)-hex-4-enyl] 2,2,2-trifluoroacetate
CID 91694359
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine
CID 102721961
5-methylhexyl 2,2-dimethylpropanoate
CID 88620729

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-aminohexyl] 2,2,2-trifluoroacetate?
The IUPAC name of [(5R)-5-aminohexyl] 2,2,2-trifluoroacetate (CID 88924333) is [(5R)-5-aminohexyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(5R)-5-aminohexyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(5R)-5-aminohexyl] 2,2,2-trifluoroacetate is C[C@@H](N)CCCCOC(=O)C(F)(F)F.
What is the InChIKey of [(5R)-5-aminohexyl] 2,2,2-trifluoroacetate?
The InChIKey is UCFCRNIKKWCAOB-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-6(12)4-2-3-5-14-7(13)8(9,10)11/h6H,2-5,12H2,1H3/t6-/m1/s1.
What are the key properties of [(5R)-5-aminohexyl] 2,2,2-trifluoroacetate?
[(5R)-5-aminohexyl] 2,2,2-trifluoroacetate 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 [(5R)-5-aminohexyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 88924333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).