2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline

C12H10F5N3 — CID 61482768

IUPAC2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline
SMILESCC(Cn1ccnc1)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H10F5N3/c1-6(4-20-3-2-18-5-20)19-12-10(16)8(14)7(13)9(15)11(12)17/h2-3,5-6,19H,4H2,1H3
InChIKeyRJRMKXVFIIUXNI-UHFFFAOYSA-N
MW291.22 g/mol
LogP3.08
Rot. Bonds4

About 2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline

2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline (PubChem CID 61482768) has the molecular formula C12H10F5N3 and a molecular weight of 291.22 g/mol. Its IUPAC name is 2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline.

Molecular Properties

Compound Name2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline
PubChem CID61482768
Molecular FormulaC12H10F5N3
Molecular Weight291.22 g/mol
Exact Mass291.08
IUPAC Name2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline
SMILESCC(Cn1ccnc1)Nc1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H10F5N3/c1-6(4-20-3-2-18-5-20)19-12-10(16)8(14)7(13)9(15)11(12)17/h2-3,5-6,19H,4H2,1H3
InChIKeyRJRMKXVFIIUXNI-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 63185406
3,5-difluoro-4-(1-imidazol-1-ylpropan-2-ylamino)benzenecarbothioamide
CID 81286265
4-(1-imidazol-1-ylpropan-2-ylamino)benzoic acid
CID 62230868
5-chloro-3-fluoro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 79727326
2-bromo-3-fluoro-4-(1-imidazol-1-ylpropan-2-ylamino)benzonitrile
CID 107533388
1-ethyl-N-(1-imidazol-1-ylpropan-2-yl)imidazol-2-amine
CID 62138049
5-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2,5-diamine
CID 61479602
4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985899
2,3,4,5,6-pentafluoro-N-(3-imidazol-1-ylpropyl)aniline
CID 28826187
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659641
1-imidazol-1-yl-N-[1-(4-propan-2-ylphenyl)ethyl]propan-2-amine
CID 43749714
6-hydrazinyl-N-(1-imidazol-1-ylpropan-2-yl)-2-methylsulfanylpyrimidin-4-amine
CID 80897715

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline?
The IUPAC name of 2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline (CID 61482768) is 2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline.
What is the SMILES notation for 2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline?
The canonical SMILES for 2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline is CC(Cn1ccnc1)Nc1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline?
The InChIKey is RJRMKXVFIIUXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F5N3/c1-6(4-20-3-2-18-5-20)19-12-10(16)8(14)7(13)9(15)11(12)17/h2-3,5-6,19H,4H2,1H3.
What are the key properties of 2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline?
2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline has a molecular weight of 291.22 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline is sourced from PubChem (CID 61482768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).