3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol

C6H11F2N3O — CID 104858993

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1=NCCN1
InChIInChI=1S/C6H11F2N3O/c7-6(8,4-12)3-11-5-9-1-2-10-5/h12H,1-4H2,(H2,9,10,11)
InChIKeyFDFFUHOTKPHXQF-UHFFFAOYSA-N
MW179.17 g/mol
LogP-0.84
Rot. Bonds3

About 3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol

3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol (PubChem CID 104858993) has the molecular formula C6H11F2N3O and a molecular weight of 179.17 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol
PubChem CID104858993
Molecular FormulaC6H11F2N3O
Molecular Weight179.17 g/mol
Exact Mass179.09
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol
SMILESOCC(F)(F)CNC1=NCCN1
InChIInChI=1S/C6H11F2N3O/c7-6(8,4-12)3-11-5-9-1-2-10-5/h12H,1-4H2,(H2,9,10,11)
InChIKeyFDFFUHOTKPHXQF-UHFFFAOYSA-N
XLogP-0.84
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol (CID 104858993) is 3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol is OCC(F)(F)CNC1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol?
The InChIKey is FDFFUHOTKPHXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N3O/c7-6(8,4-12)3-11-5-9-1-2-10-5/h12H,1-4H2,(H2,9,10,11).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol?
3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol has a molecular weight of 179.17 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-ylamino)-2,2-difluoropropan-1-ol is sourced from PubChem (CID 104858993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).