N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine

C9H15F2N3 — CID 106719477

IUPACN-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CC(F)F)cn1
InChIInChI=1S/C9H15F2N3/c1-7(2)12-3-8-4-14(6-13-8)5-9(10)11/h4,6-7,9,12H,3,5H2,1-2H3
InChIKeyHPAUHOIHHFHLIZ-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.65
Rot. Bonds5

About N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine

N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 106719477) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID106719477
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC NameN-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(CC(F)F)cn1
InChIInChI=1S/C9H15F2N3/c1-7(2)12-3-8-4-14(6-13-8)5-9(10)11/h4,6-7,9,12H,3,5H2,1-2H3
InChIKeyHPAUHOIHHFHLIZ-UHFFFAOYSA-N
XLogP1.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine (CID 106719477) is N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cn(CC(F)F)cn1.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is HPAUHOIHHFHLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-7(2)12-3-8-4-14(6-13-8)5-9(10)11/h4,6-7,9,12H,3,5H2,1-2H3.
What are the key properties of N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine?
N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 203.24 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106719477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).