2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine

C10H8F5N3 — CID 81450045

IUPAC2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
SMILESCC(N)(c1nc2c(F)cc(F)cc2[nH]1)C(F)(F)F
InChIInChI=1S/C10H8F5N3/c1-9(16,10(13,14)15)8-17-6-3-4(11)2-5(12)7(6)18-8/h2-3H,16H2,1H3,(H,17,18)
InChIKeyPDXQEDGZXHGWHV-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.58
Rot. Bonds1

About 2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine

2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine (PubChem CID 81450045) has the molecular formula C10H8F5N3 and a molecular weight of 265.19 g/mol. Its IUPAC name is 2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
PubChem CID81450045
Molecular FormulaC10H8F5N3
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Name2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
SMILESCC(N)(c1nc2c(F)cc(F)cc2[nH]1)C(F)(F)F
InChIInChI=1S/C10H8F5N3/c1-9(16,10(13,14)15)8-17-6-3-4(11)2-5(12)7(6)18-8/h2-3H,16H2,1H3,(H,17,18)
InChIKeyPDXQEDGZXHGWHV-UHFFFAOYSA-N
XLogP2.58
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine (CID 81450045) is 2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine is CC(N)(c1nc2c(F)cc(F)cc2[nH]1)C(F)(F)F.
What is the InChIKey of 2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is PDXQEDGZXHGWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N3/c1-9(16,10(13,14)15)8-17-6-3-4(11)2-5(12)7(6)18-8/h2-3H,16H2,1H3,(H,17,18).
What are the key properties of 2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine?
2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 265.19 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoro-1H-benzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 81450045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).