N-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine

C7H12F3NO2 — CID 126981807

IUPACN-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine
SMILESCNC1(C(F)(F)F)COCCOC1
InChIInChI=1S/C7H12F3NO2/c1-11-6(7(8,9)10)4-12-2-3-13-5-6/h11H,2-5H2,1H3
InChIKeyIBHVKOXBZSKIHS-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.55
Rot. Bonds1

About N-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine

N-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine (PubChem CID 126981807) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is N-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine.

Molecular Properties

Compound NameN-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine
PubChem CID126981807
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC NameN-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine
SMILESCNC1(C(F)(F)F)COCCOC1
InChIInChI=1S/C7H12F3NO2/c1-11-6(7(8,9)10)4-12-2-3-13-5-6/h11H,2-5H2,1H3
InChIKeyIBHVKOXBZSKIHS-UHFFFAOYSA-N
XLogP0.55
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-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

N,1-dimethyl-4-(trifluoromethyl)piperidin-4-amine
CID 66206567
N-[(3R)-3-(trifluoromethyl)oxolan-3-yl]butane-1-sulfonamide
CID 124882694
N-methyl-2-(trifluoromethyl)-1,3-dihydroinden-2-amine
CID 66205549
(3R)-3-(trifluoromethyl)oxolan-3-amine;hydrochloride
CID 163321402
N-methyl-3-propan-2-yloxolan-3-amine
CID 177186898
3-fluoro-N-methyloxetan-3-amine
CID 67318981
4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine
CID 66206980
N-methyl-1-[4-(trifluoromethyl)oxan-4-yl]methanamine
CID 121208317
N-methyl-4-(2-methylpentan-2-yl)oxan-4-amine
CID 166827931
3-tert-butyl-3-(trifluoromethyl)oxetane
CID 116875849
2,2-dimethyl-N-[3-(trifluoromethyl)oxolan-3-yl]-3H-1-benzofuran-5-sulfonamide
CID 154797870
4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide
CID 103750220

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine?
The IUPAC name of N-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine (CID 126981807) is N-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine.
What is the SMILES notation for N-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine?
The canonical SMILES for N-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine is CNC1(C(F)(F)F)COCCOC1.
What is the InChIKey of N-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine?
The InChIKey is IBHVKOXBZSKIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c1-11-6(7(8,9)10)4-12-2-3-13-5-6/h11H,2-5H2,1H3.
What are the key properties of N-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine?
N-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine has a molecular weight of 199.17 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(trifluoromethyl)-1,4-dioxepan-6-amine is sourced from PubChem (CID 126981807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).