1,1,1-trifluoro-N,8-dimethylnonan-2-amine

C11H22F3N — CID 88588113

IUPAC1,1,1-trifluoro-N,8-dimethylnonan-2-amine
SMILESCNC(CCCCCC(C)C)C(F)(F)F
InChIInChI=1S/C11H22F3N/c1-9(2)7-5-4-6-8-10(15-3)11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyGDJJOIFWTUZKID-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.74
Rot. Bonds7

About 1,1,1-trifluoro-N,8-dimethylnonan-2-amine

1,1,1-trifluoro-N,8-dimethylnonan-2-amine (PubChem CID 88588113) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,8-dimethylnonan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,8-dimethylnonan-2-amine
PubChem CID88588113
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Name1,1,1-trifluoro-N,8-dimethylnonan-2-amine
SMILESCNC(CCCCCC(C)C)C(F)(F)F
InChIInChI=1S/C11H22F3N/c1-9(2)7-5-4-6-8-10(15-3)11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyGDJJOIFWTUZKID-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1,1,1-trifluoro-N,8-dimethylnonan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N,8-dimethylnonan-2-amine (CID 88588113) is 1,1,1-trifluoro-N,8-dimethylnonan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N,8-dimethylnonan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N,8-dimethylnonan-2-amine is CNC(CCCCCC(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N,8-dimethylnonan-2-amine?
The InChIKey is GDJJOIFWTUZKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N/c1-9(2)7-5-4-6-8-10(15-3)11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-N,8-dimethylnonan-2-amine?
1,1,1-trifluoro-N,8-dimethylnonan-2-amine has a molecular weight of 225.30 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,8-dimethylnonan-2-amine is sourced from PubChem (CID 88588113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).