1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-amine

C11H22F3NO — CID 116724453

IUPAC1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-amine
SMILESCNC(CCC(F)(F)F)C(OC)C(C)(C)C
InChIInChI=1S/C11H22F3NO/c1-10(2,3)9(16-5)8(15-4)6-7-11(12,13)14/h8-9,15H,6-7H2,1-5H3
InChIKeyUIWFVPDMTYJBDD-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.98
Rot. Bonds5

About 1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-amine

1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-amine (PubChem CID 116724453) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-amine
PubChem CID116724453
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-amine
SMILESCNC(CCC(F)(F)F)C(OC)C(C)(C)C
InChIInChI=1S/C11H22F3NO/c1-10(2,3)9(16-5)8(15-4)6-7-11(12,13)14/h8-9,15H,6-7H2,1-5H3
InChIKeyUIWFVPDMTYJBDD-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-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-5-methoxy-N,6,6-trimethylheptan-4-amine?
The IUPAC name of 1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-amine (CID 116724453) is 1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-amine?
The canonical SMILES for 1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-amine is CNC(CCC(F)(F)F)C(OC)C(C)(C)C.
What is the InChIKey of 1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-amine?
The InChIKey is UIWFVPDMTYJBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-10(2,3)9(16-5)8(15-4)6-7-11(12,13)14/h8-9,15H,6-7H2,1-5H3.
What are the key properties of 1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-amine?
1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-amine has a molecular weight of 241.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-methoxy-N,6,6-trimethylheptan-4-amine is sourced from PubChem (CID 116724453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).