2-amino-1,1,1-trifluorononan-3-ol

C9H18F3NO — CID 15597682

IUPAC2-amino-1,1,1-trifluorononan-3-ol
SMILESCCCCCCC(O)C(N)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-2-3-4-5-6-7(14)8(13)9(10,11)12/h7-8,14H,2-6,13H2,1H3
InChIKeyWXAUPMQEOPNQSY-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.21
Rot. Bonds6

About 2-amino-1,1,1-trifluorononan-3-ol

2-amino-1,1,1-trifluorononan-3-ol (PubChem CID 15597682) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-amino-1,1,1-trifluorononan-3-ol.

Molecular Properties

Compound Name2-amino-1,1,1-trifluorononan-3-ol
PubChem CID15597682
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name2-amino-1,1,1-trifluorononan-3-ol
SMILESCCCCCCC(O)C(N)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-2-3-4-5-6-7(14)8(13)9(10,11)12/h7-8,14H,2-6,13H2,1H3
InChIKeyWXAUPMQEOPNQSY-UHFFFAOYSA-N
XLogP2.21
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S,3S,5S)-2-amino-18,18,18-trifluorooctadecane-3,5-diol
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(2S,3R)-2-Aminododecan-3-Ol
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CID 58743267
3-Epi-Xestoaminol C
CID 90683233
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CID 12590325
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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1,1-trifluorononan-3-ol?
The IUPAC name of 2-amino-1,1,1-trifluorononan-3-ol (CID 15597682) is 2-amino-1,1,1-trifluorononan-3-ol.
What is the SMILES notation for 2-amino-1,1,1-trifluorononan-3-ol?
The canonical SMILES for 2-amino-1,1,1-trifluorononan-3-ol is CCCCCCC(O)C(N)C(F)(F)F.
What is the InChIKey of 2-amino-1,1,1-trifluorononan-3-ol?
The InChIKey is WXAUPMQEOPNQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-2-3-4-5-6-7(14)8(13)9(10,11)12/h7-8,14H,2-6,13H2,1H3.
What are the key properties of 2-amino-1,1,1-trifluorononan-3-ol?
2-amino-1,1,1-trifluorononan-3-ol has a molecular weight of 213.24 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1,1-trifluorononan-3-ol is sourced from PubChem (CID 15597682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).