N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine

C8H18F2N2O — CID 103208149

IUPACN'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine
SMILESNCCCNCCCOCC(F)F
InChIInChI=1S/C8H18F2N2O/c9-8(10)7-13-6-2-5-12-4-1-3-11/h8,12H,1-7,11H2
InChIKeyGNAXCSRQQZUVET-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.60
Rot. Bonds9

About N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine

N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine (PubChem CID 103208149) has the molecular formula C8H18F2N2O and a molecular weight of 196.24 g/mol. Its IUPAC name is N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine
PubChem CID103208149
Molecular FormulaC8H18F2N2O
Molecular Weight196.24 g/mol
Exact Mass196.14
IUPAC NameN'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine
SMILESNCCCNCCCOCC(F)F
InChIInChI=1S/C8H18F2N2O/c9-8(10)7-13-6-2-5-12-4-1-3-11/h8,12H,1-7,11H2
InChIKeyGNAXCSRQQZUVET-UHFFFAOYSA-N
XLogP0.60
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine 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

3-(2,2-difluoroethoxy)propan-1-amine;hydrochloride
CID 71756154
6-(2,2-difluoroethoxy)hexan-1-amine
CID 82006295
(2S)-2-N-[3-(2,2-difluoroethoxy)propyl]propane-1,2-diamine
CID 103208190
N'-[3-(2-aminoethoxy)propyl]ethane-1,2-diamine
CID 123161317
N-benzyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 114782953
N'-[3-[3-[3-[3-[3-[3-(3-aminopropylamino)propylamino]propylamino]propylamino]propylamino]propylamino]propyl]propane-1,3-diamine
CID 22916506
N-(5-aminopentyl)-3-(2,2-difluoroethoxy)propanamide
CID 103205484
3-(2,2-difluoroethoxy)-N-(oxolan-2-ylmethyl)propan-1-amine
CID 103208032
4-(3-aminopropoxy)-N-[3-(3-methylbutoxy)propyl]butan-1-amine
CID 57194554
N-[2-(2,2-difluoroethoxy)ethyl]-4-(oxan-4-yl)butan-1-amine
CID 114191152
N-[2-(2,2-difluoroethoxy)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 103083062
N'-(2-aminoethyl)-N-(3-aminopropyl)butane-1,4-diamine
CID 118361903

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine (CID 103208149) is N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine is NCCCNCCCOCC(F)F.
What is the InChIKey of N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine?
The InChIKey is GNAXCSRQQZUVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F2N2O/c9-8(10)7-13-6-2-5-12-4-1-3-11/h8,12H,1-7,11H2.
What are the key properties of N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine?
N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine has a molecular weight of 196.24 g/mol, XLogP of 0.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2,2-difluoroethoxy)propyl]propane-1,3-diamine is sourced from PubChem (CID 103208149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).