3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide

C7H14F3N3O2 — CID 103369628

IUPAC3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide
SMILESNC(=NO)C(CNCCCO)C(F)(F)F
InChIInChI=1S/C7H14F3N3O2/c8-7(9,10)5(6(11)13-15)4-12-2-1-3-14/h5,12,14-15H,1-4H2,(H2,11,13)
InChIKeyVXCCTNFGUJWOBC-UHFFFAOYSA-N
MW229.20 g/mol
LogP-0.12
Rot. Bonds6

About 3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide

3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide (PubChem CID 103369628) has the molecular formula C7H14F3N3O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide
PubChem CID103369628
Molecular FormulaC7H14F3N3O2
Molecular Weight229.20 g/mol
Exact Mass229.10
IUPAC Name3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide
SMILESNC(=NO)C(CNCCCO)C(F)(F)F
InChIInChI=1S/C7H14F3N3O2/c8-7(9,10)5(6(11)13-15)4-12-2-1-3-14/h5,12,14-15H,1-4H2,(H2,11,13)
InChIKeyVXCCTNFGUJWOBC-UHFFFAOYSA-N
XLogP-0.12
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-0.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103369277
3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxypropyl(propan-2-yl)amino]methyl]propanimidamide
CID 103369340
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxypropylamino)methyl]propanimidamide
CID 103369608
3,3,3-trifluoro-N'-hydroxy-2-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]propanimidamide
CID 103369625
3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxypropylamino)methyl]propanimidamide
CID 103369627
3,3,3-trifluoro-N'-hydroxy-2-[(2-hydroxyethylamino)methyl]propanimidamide
CID 103369629
3,3,3-trifluoro-N'-hydroxy-2-[(1-hydroxypropan-2-ylamino)methyl]propanimidamide
CID 103369630
3,3,3-trifluoro-N'-hydroxy-2-[[(3-methoxy-2-methylpropyl)amino]methyl]propanimidamide
CID 103369825
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxybutylamino)methyl]propanimidamide
CID 103369898
3,3,3-trifluoro-N'-hydroxy-2-[[(3-hydroxy-2-methylpropyl)amino]methyl]propanimidamide
CID 103369900
2-[(1,3-dihydroxypropan-2-ylamino)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369913
3,3,3-trifluoro-N'-hydroxy-2-[[(4-hydroxy-2-methylbutyl)amino]methyl]propanimidamide
CID 103369944

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide?
The IUPAC name of 3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide (CID 103369628) is 3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide?
The canonical SMILES for 3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide is NC(=NO)C(CNCCCO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide?
The InChIKey is VXCCTNFGUJWOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N3O2/c8-7(9,10)5(6(11)13-15)4-12-2-1-3-14/h5,12,14-15H,1-4H2,(H2,11,13).
What are the key properties of 3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide?
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide has a molecular weight of 229.20 g/mol, XLogP of -0.12, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypropylamino)methyl]propanimidamide is sourced from PubChem (CID 103369628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).