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

C6H11F2N3O — CID 103734625

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1-difluoropropan-2-ol
SMILESOC(CNC1=NCCN1)C(F)F
InChIInChI=1S/C6H11F2N3O/c7-5(8)4(12)3-11-6-9-1-2-10-6/h4-5,12H,1-3H2,(H2,9,10,11)
InChIKeyRAOCBKJYWMMRRN-UHFFFAOYSA-N
MW179.17 g/mol
LogP-0.84
Rot. Bonds3

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

3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1-difluoropropan-2-ol (PubChem CID 103734625) 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)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1-difluoropropan-2-ol
PubChem CID103734625
Molecular FormulaC6H11F2N3O
Molecular Weight179.17 g/mol
Exact Mass179.09
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1-difluoropropan-2-ol
SMILESOC(CNC1=NCCN1)C(F)F
InChIInChI=1S/C6H11F2N3O/c7-5(8)4(12)3-11-6-9-1-2-10-6/h4-5,12H,1-3H2,(H2,9,10,11)
InChIKeyRAOCBKJYWMMRRN-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)-1,1-difluoropropan-2-ol?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1-difluoropropan-2-ol (CID 103734625) is 3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1-difluoropropan-2-ol is OC(CNC1=NCCN1)C(F)F.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1-difluoropropan-2-ol?
The InChIKey is RAOCBKJYWMMRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2N3O/c7-5(8)4(12)3-11-6-9-1-2-10-6/h4-5,12H,1-3H2,(H2,9,10,11).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1-difluoropropan-2-ol?
3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1-difluoropropan-2-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)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103734625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).