N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline

C11H9F4N3 — CID 43142893

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline
SMILESFc1cccc(F)c1NCc1nccn1C(F)F
InChIInChI=1S/C11H9F4N3/c12-7-2-1-3-8(13)10(7)17-6-9-16-4-5-18(9)11(14)15/h1-5,11,17H,6H2
InChIKeyLRVYMOYTEHPMLP-UHFFFAOYSA-N
MW259.21 g/mol
LogP3.17
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline (PubChem CID 43142893) has the molecular formula C11H9F4N3 and a molecular weight of 259.21 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline
PubChem CID43142893
Molecular FormulaC11H9F4N3
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline
SMILESFc1cccc(F)c1NCc1nccn1C(F)F
InChIInChI=1S/C11H9F4N3/c12-7-2-1-3-8(13)10(7)17-6-9-16-4-5-18(9)11(14)15/h1-5,11,17H,6H2
InChIKeyLRVYMOYTEHPMLP-UHFFFAOYSA-N
XLogP3.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline (CID 43142893) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline is Fc1cccc(F)c1NCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline?
The InChIKey is LRVYMOYTEHPMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4N3/c12-7-2-1-3-8(13)10(7)17-6-9-16-4-5-18(9)11(14)15/h1-5,11,17H,6H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline has a molecular weight of 259.21 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline is sourced from PubChem (CID 43142893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).