(5R)-5-aminohexan-1-ol;2,2,2-trifluoroacetic acid

C8H16F3NO3 — CID 86706229

IUPAC(5R)-5-aminohexan-1-ol;2,2,2-trifluoroacetic acid
SMILESC[C@@H](N)CCCCO.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15NO.C2HF3O2/c1-6(7)4-2-3-5-8;3-2(4,5)1(6)7/h6,8H,2-5,7H2,1H3;(H,6,7)/t6-;/m1./s1
InChIKeyAREHWEUFFHPBRP-FYZOBXCZSA-N
MW231.21 g/mol
LogP1.13
Rot. Bonds4

About (5R)-5-aminohexan-1-ol;2,2,2-trifluoroacetic acid

(5R)-5-aminohexan-1-ol;2,2,2-trifluoroacetic acid (PubChem CID 86706229) has the molecular formula C8H16F3NO3 and a molecular weight of 231.21 g/mol. Its IUPAC name is (5R)-5-aminohexan-1-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(5R)-5-aminohexan-1-ol;2,2,2-trifluoroacetic acid
PubChem CID86706229
Molecular FormulaC8H16F3NO3
Molecular Weight231.21 g/mol
Exact Mass231.11
IUPAC Name(5R)-5-aminohexan-1-ol;2,2,2-trifluoroacetic acid
SMILESC[C@@H](N)CCCCO.O=C(O)C(F)(F)F
InChIInChI=1S/C6H15NO.C2HF3O2/c1-6(7)4-2-3-5-8;3-2(4,5)1(6)7/h6,8H,2-5,7H2,1H3;(H,6,7)/t6-;/m1./s1
InChIKeyAREHWEUFFHPBRP-FYZOBXCZSA-N
XLogP1.13
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-aminohexan-1-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of (5R)-5-aminohexan-1-ol;2,2,2-trifluoroacetic acid (CID 86706229) is (5R)-5-aminohexan-1-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (5R)-5-aminohexan-1-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for (5R)-5-aminohexan-1-ol;2,2,2-trifluoroacetic acid is C[C@@H](N)CCCCO.O=C(O)C(F)(F)F.
What is the InChIKey of (5R)-5-aminohexan-1-ol;2,2,2-trifluoroacetic acid?
The InChIKey is AREHWEUFFHPBRP-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H15NO.C2HF3O2/c1-6(7)4-2-3-5-8;3-2(4,5)1(6)7/h6,8H,2-5,7H2,1H3;(H,6,7)/t6-;/m1./s1.
What are the key properties of (5R)-5-aminohexan-1-ol;2,2,2-trifluoroacetic acid?
(5R)-5-aminohexan-1-ol;2,2,2-trifluoroacetic acid has a molecular weight of 231.21 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-aminohexan-1-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 86706229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).