1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine

C9H18F3NO — CID 66205958

IUPAC1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine
SMILESCNC(C)(CC(C)(C)OC)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2,14-5)6-8(3,13-4)9(10,11)12/h13H,6H2,1-5H3
InChIKeyKQUJBWHEKCHIOR-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.34
Rot. Bonds4

About 1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine

1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine (PubChem CID 66205958) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine
PubChem CID66205958
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine
SMILESCNC(C)(CC(C)(C)OC)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2,14-5)6-8(3,13-4)9(10,11)12/h13H,6H2,1-5H3
InChIKeyKQUJBWHEKCHIOR-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine (CID 66205958) is 1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine is CNC(C)(CC(C)(C)OC)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine?
The InChIKey is KQUJBWHEKCHIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-7(2,14-5)6-8(3,13-4)9(10,11)12/h13H,6H2,1-5H3.
What are the key properties of 1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine?
1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine has a molecular weight of 213.24 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine is sourced from PubChem (CID 66205958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).