N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine

C7H13F2N3O — CID 103090727

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)COCCNC1=NCCN1
InChIInChI=1S/C7H13F2N3O/c8-6(9)5-13-4-3-12-7-10-1-2-11-7/h6H,1-5H2,(H2,10,11,12)
InChIKeyBFDKPGHUOPJWFU-UHFFFAOYSA-N
MW193.20 g/mol
LogP-0.18
Rot. Bonds5

About N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine

N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 103090727) has the molecular formula C7H13F2N3O and a molecular weight of 193.20 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID103090727
Molecular FormulaC7H13F2N3O
Molecular Weight193.20 g/mol
Exact Mass193.10
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESFC(F)COCCNC1=NCCN1
InChIInChI=1S/C7H13F2N3O/c8-6(9)5-13-4-3-12-7-10-1-2-11-7/h6H,1-5H2,(H2,10,11,12)
InChIKeyBFDKPGHUOPJWFU-UHFFFAOYSA-N
XLogP-0.18
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine (CID 103090727) is N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine is FC(F)COCCNC1=NCCN1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is BFDKPGHUOPJWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N3O/c8-6(9)5-13-4-3-12-7-10-1-2-11-7/h6H,1-5H2,(H2,10,11,12).
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 193.20 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 103090727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).