6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine

C8H16F3NO — CID 79617778

IUPAC6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine
SMILESCNC(CCC(F)(F)F)C(C)OC
InChIInChI=1S/C8H16F3NO/c1-6(13-3)7(12-2)4-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3
InChIKeyREJYKWKGDKECPX-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.95
Rot. Bonds5

About 6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine

6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine (PubChem CID 79617778) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine
PubChem CID79617778
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine
SMILESCNC(CCC(F)(F)F)C(C)OC
InChIInChI=1S/C8H16F3NO/c1-6(13-3)7(12-2)4-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3
InChIKeyREJYKWKGDKECPX-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6,6,6-trifluoro-2-methoxy-N-methylhexan-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

Related Compounds

2-methoxy-N,6,6-trimethylheptan-3-amine
CID 79616446
6,6,6-trifluoro-N-methyl-2-methylsulfonylhexan-3-amine
CID 104992848
2-methoxy-N-methylhex-5-yn-3-amine
CID 79616094
(2S)-3-methoxy-N-methylbutan-2-amine
CID 122536218
3-methoxy-N-methyl-1-[4-(trifluoromethoxy)phenyl]butan-2-amine
CID 79616456
(2,6-dimethoxy-6-methylheptan-3-yl)hydrazine
CID 103026551
3-methoxy-N,2,2,7,7-pentamethyloctan-4-amine
CID 116724435
5,5,5-trifluoro-N-methyl-1-propan-2-ylsulfanylpentan-2-amine
CID 65131713
6,6,6-trifluoro-N-methylhexan-3-amine
CID 64566390
7,7,7-trifluoro-2-methoxy-N,2-dimethylheptan-3-amine
CID 115517311
8,8,8-trifluoro-1-methoxy-N,2-dimethyloctan-4-amine
CID 105174487
ethane;1,1,1-trifluoro-4-methylpentane
CID 142517870

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine (CID 79617778) is 6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine is CNC(CCC(F)(F)F)C(C)OC.
What is the InChIKey of 6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine?
The InChIKey is REJYKWKGDKECPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-6(13-3)7(12-2)4-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine?
6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine has a molecular weight of 199.22 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methoxy-N-methylhexan-3-amine is sourced from PubChem (CID 79617778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).