N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine

C8H13F2N3 — CID 115406678

IUPACN-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine
SMILESFC(F)CNCCCn1ccnc1
InChIInChI=1S/C8H13F2N3/c9-8(10)6-11-2-1-4-13-5-3-12-7-13/h3,5,7-8,11H,1-2,4,6H2
InChIKeyVLWMAIFIWFSAJY-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.13
Rot. Bonds6

About N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine

N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine (PubChem CID 115406678) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine
PubChem CID115406678
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC NameN-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine
SMILESFC(F)CNCCCn1ccnc1
InChIInChI=1S/C8H13F2N3/c9-8(10)6-11-2-1-4-13-5-3-12-7-13/h3,5,7-8,11H,1-2,4,6H2
InChIKeyVLWMAIFIWFSAJY-UHFFFAOYSA-N
XLogP1.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-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

Related Compounds

N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine
CID 102698134
(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine
CID 28993669
2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine
CID 114004575
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
methyl (2S)-3-(3-imidazol-1-ylpropylamino)-2-methylpropanoate
CID 94133695
3-imidazol-1-yl-N-(2-methylsulfanylethyl)propan-1-amine
CID 60685316
2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol
CID 106435002
2-fluoro-5-imidazol-1-ylpentanal
CID 55266749
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
(3-imidazol-1-ylpropylamino)methyl formate
CID 142974102
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine (CID 115406678) is N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine is FC(F)CNCCCn1ccnc1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine?
The InChIKey is VLWMAIFIWFSAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c9-8(10)6-11-2-1-4-13-5-3-12-7-13/h3,5,7-8,11H,1-2,4,6H2.
What are the key properties of N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine?
N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine has a molecular weight of 189.21 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 115406678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).