7,7,7-trifluoro-2-methoxy-N-methylheptan-3-amine

C9H18F3NO — CID 115517342

IUPAC7,7,7-trifluoro-2-methoxy-N-methylheptan-3-amine
SMILESCNC(CCCC(F)(F)F)C(C)OC
InChIInChI=1S/C9H18F3NO/c1-7(14-3)8(13-2)5-4-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyABFMUEKWEIHFIK-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.34
Rot. Bonds6

About 7,7,7-trifluoro-2-methoxy-N-methylheptan-3-amine

7,7,7-trifluoro-2-methoxy-N-methylheptan-3-amine (PubChem CID 115517342) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 7,7,7-trifluoro-2-methoxy-N-methylheptan-3-amine.

Molecular Properties

Compound Name7,7,7-trifluoro-2-methoxy-N-methylheptan-3-amine
PubChem CID115517342
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name7,7,7-trifluoro-2-methoxy-N-methylheptan-3-amine
SMILESCNC(CCCC(F)(F)F)C(C)OC
InChIInChI=1S/C9H18F3NO/c1-7(14-3)8(13-2)5-4-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyABFMUEKWEIHFIK-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 7,7,7-trifluoro-2-methoxy-N-methylheptan-3-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 7,7,7-trifluoro-2-methoxy-N-methylheptan-3-amine?
The IUPAC name of 7,7,7-trifluoro-2-methoxy-N-methylheptan-3-amine (CID 115517342) is 7,7,7-trifluoro-2-methoxy-N-methylheptan-3-amine.
What is the SMILES notation for 7,7,7-trifluoro-2-methoxy-N-methylheptan-3-amine?
The canonical SMILES for 7,7,7-trifluoro-2-methoxy-N-methylheptan-3-amine is CNC(CCCC(F)(F)F)C(C)OC.
What is the InChIKey of 7,7,7-trifluoro-2-methoxy-N-methylheptan-3-amine?
The InChIKey is ABFMUEKWEIHFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-7(14-3)8(13-2)5-4-6-9(10,11)12/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 7,7,7-trifluoro-2-methoxy-N-methylheptan-3-amine?
7,7,7-trifluoro-2-methoxy-N-methylheptan-3-amine has a molecular weight of 213.24 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-2-methoxy-N-methylheptan-3-amine is sourced from PubChem (CID 115517342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).