2-(1-amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol

C16H34FNO2 — CID 123397412

IUPAC2-(1-amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol
SMILESCC(C)(CF)CC(C)(C)CCCCC(N)C(CO)CO
InChIInChI=1S/C16H34FNO2/c1-15(2,11-16(3,4)12-17)8-6-5-7-14(18)13(9-19)10-20/h13-14,19-20H,5-12,18H2,1-4H3
InChIKeyZUAKJHXJWOFZFD-UHFFFAOYSA-N
MW291.45 g/mol
LogP2.89
Rot. Bonds11

About 2-(1-amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol

2-(1-amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol (PubChem CID 123397412) has the molecular formula C16H34FNO2 and a molecular weight of 291.45 g/mol. Its IUPAC name is 2-(1-amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(1-amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol
PubChem CID123397412
Molecular FormulaC16H34FNO2
Molecular Weight291.45 g/mol
Exact Mass291.26
IUPAC Name2-(1-amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol
SMILESCC(C)(CF)CC(C)(C)CCCCC(N)C(CO)CO
InChIInChI=1S/C16H34FNO2/c1-15(2,11-16(3,4)12-17)8-6-5-7-14(18)13(9-19)10-20/h13-14,19-20H,5-12,18H2,1-4H3
InChIKeyZUAKJHXJWOFZFD-UHFFFAOYSA-N
XLogP2.89
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.45
LogP ≤ 52.89
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol?
The IUPAC name of 2-(1-amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol (CID 123397412) is 2-(1-amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol.
What is the SMILES notation for 2-(1-amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol?
The canonical SMILES for 2-(1-amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol is CC(C)(CF)CC(C)(C)CCCCC(N)C(CO)CO.
What is the InChIKey of 2-(1-amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol?
The InChIKey is ZUAKJHXJWOFZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34FNO2/c1-15(2,11-16(3,4)12-17)8-6-5-7-14(18)13(9-19)10-20/h13-14,19-20H,5-12,18H2,1-4H3.
What are the key properties of 2-(1-amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol?
2-(1-amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol has a molecular weight of 291.45 g/mol, XLogP of 2.89, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-9-fluoro-6,6,8,8-tetramethylnonyl)propane-1,3-diol is sourced from PubChem (CID 123397412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).