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

C6H10F3N3O — CID 103636142

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNC1=NCCN1)C(F)(F)F
InChIInChI=1S/C6H10F3N3O/c7-6(8,9)4(13)3-12-5-10-1-2-11-5/h4,13H,1-3H2,(H2,10,11,12)
InChIKeyIIIPEUCSVFWWOJ-UHFFFAOYSA-N
MW197.16 g/mol
LogP-0.54
Rot. Bonds2

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

3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 103636142) has the molecular formula C6H10F3N3O and a molecular weight of 197.16 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID103636142
Molecular FormulaC6H10F3N3O
Molecular Weight197.16 g/mol
Exact Mass197.08
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNC1=NCCN1)C(F)(F)F
InChIInChI=1S/C6H10F3N3O/c7-6(8,9)4(13)3-12-5-10-1-2-11-5/h4,13H,1-3H2,(H2,10,11,12)
InChIKeyIIIPEUCSVFWWOJ-UHFFFAOYSA-N
XLogP-0.54
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 5-0.54
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)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1,1-trifluoropropan-2-ol (CID 103636142) is 3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1,1-trifluoropropan-2-ol is OC(CNC1=NCCN1)C(F)(F)F.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is IIIPEUCSVFWWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N3O/c7-6(8,9)4(13)3-12-5-10-1-2-11-5/h4,13H,1-3H2,(H2,10,11,12).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1,1-trifluoropropan-2-ol?
3-(4,5-dihydro-1H-imidazol-2-ylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 197.16 g/mol, XLogP of -0.54, 2 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)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 103636142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).