2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol

C8H13F2N3O — CID 106172910

IUPAC2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol
SMILESCc1[nH]cnc1CNCC(F)(F)CO
InChIInChI=1S/C8H13F2N3O/c1-6-7(13-5-12-6)2-11-3-8(9,10)4-14/h5,11,14H,2-4H2,1H3,(H,12,13)
InChIKeyFZQXFDPOKWJZNY-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.44
Rot. Bonds5

About 2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol

2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol (PubChem CID 106172910) has the molecular formula C8H13F2N3O and a molecular weight of 205.21 g/mol. Its IUPAC name is 2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol
PubChem CID106172910
Molecular FormulaC8H13F2N3O
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol
SMILESCc1[nH]cnc1CNCC(F)(F)CO
InChIInChI=1S/C8H13F2N3O/c1-6-7(13-5-12-6)2-11-3-8(9,10)4-14/h5,11,14H,2-4H2,1H3,(H,12,13)
InChIKeyFZQXFDPOKWJZNY-UHFFFAOYSA-N
XLogP0.44
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol?
The IUPAC name of 2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol (CID 106172910) is 2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol is Cc1[nH]cnc1CNCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol?
The InChIKey is FZQXFDPOKWJZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3O/c1-6-7(13-5-12-6)2-11-3-8(9,10)4-14/h5,11,14H,2-4H2,1H3,(H,12,13).
What are the key properties of 2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol?
2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol has a molecular weight of 205.21 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-1-ol is sourced from PubChem (CID 106172910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).