2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide

C8H16F3N3O2 — CID 103370608

IUPAC2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CCO)CCO)C(F)(F)F
InChIInChI=1S/C8H16F3N3O2/c9-8(10,11)6(7(12)13)5-14(1-3-15)2-4-16/h6,15-16H,1-5H2,(H3,12,13)
InChIKeyVCFFBPXXJHHOPK-UHFFFAOYSA-N
MW243.23 g/mol
LogP-0.61
Rot. Bonds7

About 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide

2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide (PubChem CID 103370608) has the molecular formula C8H16F3N3O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide.

Molecular Properties

Compound Name2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
PubChem CID103370608
Molecular FormulaC8H16F3N3O2
Molecular Weight243.23 g/mol
Exact Mass243.12
IUPAC Name2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide
SMILES[H]/N=C(\N)C(CN(CCO)CCO)C(F)(F)F
InChIInChI=1S/C8H16F3N3O2/c9-8(10,11)6(7(12)13)5-14(1-3-15)2-4-16/h6,15-16H,1-5H2,(H3,12,13)
InChIKeyVCFFBPXXJHHOPK-UHFFFAOYSA-N
XLogP-0.61
TPSA93.57 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-[Ethyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]-2-methylpropanimidamide
CID 54988219
2-Methyl-3-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61577915
3-[2-Methylpropyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propanimidamide
CID 61662607
3-[Ethyl-[2-(trifluoromethoxy)ethyl]amino]-2-methylpropanimidamide
CID 65803464
2-Methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803673
3-[2-Methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 65803878
3-[ethyl-[2-(trifluoromethoxy)ethyl]amino]-N'-hydroxy-2-methylpropanimidamide
CID 77100271
N'-hydroxy-2-methyl-3-[methyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100273
N'-hydroxy-3-[2-methylpropyl-[2-(trifluoromethoxy)ethyl]amino]propanimidamide
CID 77100280
3,3,3-trifluoro-N'-hydroxy-2-[[2-hydroxyethyl(methyl)amino]methyl]propanimidamide
CID 103369277
2-[[ethyl(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369278
2-[[bis(2-methoxyethyl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369300

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The IUPAC name of 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide (CID 103370608) is 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide.
What is the SMILES notation for 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The canonical SMILES for 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide is [H]/N=C(\N)C(CN(CCO)CCO)C(F)(F)F.
What is the InChIKey of 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
The InChIKey is VCFFBPXXJHHOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N3O2/c9-8(10,11)6(7(12)13)5-14(1-3-15)2-4-16/h6,15-16H,1-5H2,(H3,12,13).
What are the key properties of 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide?
2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide has a molecular weight of 243.23 g/mol, XLogP of -0.61, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-hydroxyethyl)amino]methyl]-3,3,3-trifluoropropanimidamide is sourced from PubChem (CID 103370608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).