6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide

C14H29F3N2O3 — CID 159844266

IUPAC6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide
SMILESNCCCCCCO.O=C(NCCCCCCO)C(F)(F)F
InChIInChI=1S/C8H14F3NO2.C6H15NO/c9-8(10,11)7(14)12-5-3-1-2-4-6-13;7-5-3-1-2-4-6-8/h13H,1-6H2,(H,12,14);8H,1-7H2
InChIKeyNPCAOSGWNDJDLH-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.72
Rot. Bonds11

About 6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide

6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide (PubChem CID 159844266) has the molecular formula C14H29F3N2O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide.

Molecular Properties

Compound Name6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide
PubChem CID159844266
Molecular FormulaC14H29F3N2O3
Molecular Weight330.39 g/mol
Exact Mass330.21
IUPAC Name6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide
SMILESNCCCCCCO.O=C(NCCCCCCO)C(F)(F)F
InChIInChI=1S/C8H14F3NO2.C6H15NO/c9-8(10,11)7(14)12-5-3-1-2-4-6-13;7-5-3-1-2-4-6-8/h13H,1-6H2,(H,12,14);8H,1-7H2
InChIKeyNPCAOSGWNDJDLH-UHFFFAOYSA-N
XLogP1.72
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide?
The IUPAC name of 6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide (CID 159844266) is 6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide.
What is the SMILES notation for 6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide?
The canonical SMILES for 6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide is NCCCCCCO.O=C(NCCCCCCO)C(F)(F)F.
What is the InChIKey of 6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide?
The InChIKey is NPCAOSGWNDJDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2.C6H15NO/c9-8(10,11)7(14)12-5-3-1-2-4-6-13;7-5-3-1-2-4-6-8/h13H,1-6H2,(H,12,14);8H,1-7H2.
What are the key properties of 6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide?
6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide has a molecular weight of 330.39 g/mol, XLogP of 1.72, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexan-1-ol;2,2,2-trifluoro-N-(6-hydroxyhexyl)acetamide is sourced from PubChem (CID 159844266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).