N,N-diethyl-3-fluoro-2-methoxypropan-1-amine

C8H18FNO — CID 118147689

IUPACN,N-diethyl-3-fluoro-2-methoxypropan-1-amine
SMILESCCN(CC)CC(CF)OC
InChIInChI=1S/C8H18FNO/c1-4-10(5-2)7-8(6-9)11-3/h8H,4-7H2,1-3H3
InChIKeyUTNVGNVOKFKKLY-UHFFFAOYSA-N
MW163.24 g/mol
LogP1.31
Rot. Bonds6

About N,N-diethyl-3-fluoro-2-methoxypropan-1-amine

N,N-diethyl-3-fluoro-2-methoxypropan-1-amine (PubChem CID 118147689) has the molecular formula C8H18FNO and a molecular weight of 163.24 g/mol. Its IUPAC name is N,N-diethyl-3-fluoro-2-methoxypropan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-fluoro-2-methoxypropan-1-amine
PubChem CID118147689
Molecular FormulaC8H18FNO
Molecular Weight163.24 g/mol
Exact Mass163.14
IUPAC NameN,N-diethyl-3-fluoro-2-methoxypropan-1-amine
SMILESCCN(CC)CC(CF)OC
InChIInChI=1S/C8H18FNO/c1-4-10(5-2)7-8(6-9)11-3/h8H,4-7H2,1-3H3
InChIKeyUTNVGNVOKFKKLY-UHFFFAOYSA-N
XLogP1.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-3-fluoro-2-methoxypropan-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,N-diethyl-3-fluoro-2-methoxypropan-1-amine?
The IUPAC name of N,N-diethyl-3-fluoro-2-methoxypropan-1-amine (CID 118147689) is N,N-diethyl-3-fluoro-2-methoxypropan-1-amine.
What is the SMILES notation for N,N-diethyl-3-fluoro-2-methoxypropan-1-amine?
The canonical SMILES for N,N-diethyl-3-fluoro-2-methoxypropan-1-amine is CCN(CC)CC(CF)OC.
What is the InChIKey of N,N-diethyl-3-fluoro-2-methoxypropan-1-amine?
The InChIKey is UTNVGNVOKFKKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO/c1-4-10(5-2)7-8(6-9)11-3/h8H,4-7H2,1-3H3.
What are the key properties of N,N-diethyl-3-fluoro-2-methoxypropan-1-amine?
N,N-diethyl-3-fluoro-2-methoxypropan-1-amine has a molecular weight of 163.24 g/mol, XLogP of 1.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-fluoro-2-methoxypropan-1-amine is sourced from PubChem (CID 118147689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).