N-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine

C9H19F2NO — CID 145013655

IUPACN-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)CCOC(F)F
InChIInChI=1S/C9H19F2NO/c1-4-8(2)7-12(3)5-6-13-9(10)11/h8-9H,4-7H2,1-3H3
InChIKeyPQLXZFIIMOWHGF-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.20
Rot. Bonds7

About N-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine

N-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine (PubChem CID 145013655) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is N-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine
PubChem CID145013655
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC NameN-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine
SMILESCCC(C)CN(C)CCOC(F)F
InChIInChI=1S/C9H19F2NO/c1-4-8(2)7-12(3)5-6-13-9(10)11/h8-9H,4-7H2,1-3H3
InChIKeyPQLXZFIIMOWHGF-UHFFFAOYSA-N
XLogP2.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-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 N-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine?
The IUPAC name of N-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine (CID 145013655) is N-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine.
What is the SMILES notation for N-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine?
The canonical SMILES for N-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine is CCC(C)CN(C)CCOC(F)F.
What is the InChIKey of N-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine?
The InChIKey is PQLXZFIIMOWHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-4-8(2)7-12(3)5-6-13-9(10)11/h8-9H,4-7H2,1-3H3.
What are the key properties of N-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine?
N-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine has a molecular weight of 195.25 g/mol, XLogP of 2.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 145013655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).