1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine

C11H23F2NO — CID 103149299

IUPAC1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine
SMILESCNC(CCOCC(F)F)CCC(C)C
InChIInChI=1S/C11H23F2NO/c1-9(2)4-5-10(14-3)6-7-15-8-11(12)13/h9-11,14H,4-8H2,1-3H3
InChIKeyNOJJGWBHUFRONJ-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.68
Rot. Bonds9

About 1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine

1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine (PubChem CID 103149299) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine
PubChem CID103149299
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Name1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine
SMILESCNC(CCOCC(F)F)CCC(C)C
InChIInChI=1S/C11H23F2NO/c1-9(2)4-5-10(14-3)6-7-15-8-11(12)13/h9-11,14H,4-8H2,1-3H3
InChIKeyNOJJGWBHUFRONJ-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2,2-difluoroethoxy)-N,6-dimethylheptan-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

1-(2,2-difluoroethoxy)-N-methylhept-6-en-3-amine
CID 103149283
N,6-dimethyl-1-propoxyheptan-3-amine
CID 105126755
1-(2,2-difluoroethoxy)-N-methyloct-7-yn-3-amine
CID 103149343
N,5-dimethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
CID 103475397
(2R)-4-(2,2-difluoroethoxy)butan-2-amine
CID 103151198
4-(2,2-difluoroethoxy)-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine
CID 103149430
4-(2,2-difluoroethoxy)-1-(2,5-difluorophenyl)-N-methylbutan-2-amine
CID 103149150
1-methoxy-N,2,7-trimethyloctan-4-amine
CID 105127267
1-(2,4-dichlorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 103149314
4-(2,2-difluoroethoxy)-N-methyl-1-(1-methyltriazol-4-yl)butan-2-amine
CID 107051436
2-(2,2-difluoroethoxy)-N-methylethanamine
CID 58684435
1-(3-bromo-2,6-difluorophenyl)-4-(2,2-difluoroethoxy)-N-methylbutan-2-amine
CID 106268855

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine?
The IUPAC name of 1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine (CID 103149299) is 1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine?
The canonical SMILES for 1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine is CNC(CCOCC(F)F)CCC(C)C.
What is the InChIKey of 1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine?
The InChIKey is NOJJGWBHUFRONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO/c1-9(2)4-5-10(14-3)6-7-15-8-11(12)13/h9-11,14H,4-8H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine?
1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine has a molecular weight of 223.31 g/mol, XLogP of 2.68, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-N,6-dimethylheptan-3-amine is sourced from PubChem (CID 103149299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).