3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide

C11H16F3N3O2 — CID 103369752

IUPAC3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide
SMILESCC(Cc1ccco1)NCC(/C(N)=N/O)C(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-7(5-8-3-2-4-19-8)16-6-9(10(15)17-18)11(12,13)14/h2-4,7,9,16,18H,5-6H2,1H3,(H2,15,17)
InChIKeyDLSHAEVNMLBOFI-UHFFFAOYSA-N
MW279.26 g/mol
LogP1.73
Rot. Bonds6

About 3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide

3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide (PubChem CID 103369752) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide
PubChem CID103369752
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide
SMILESCC(Cc1ccco1)NCC(/C(N)=N/O)C(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c1-7(5-8-3-2-4-19-8)16-6-9(10(15)17-18)11(12,13)14/h2-4,7,9,16,18H,5-6H2,1H3,(H2,15,17)
InChIKeyDLSHAEVNMLBOFI-UHFFFAOYSA-N
XLogP1.73
TPSA83.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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

N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine
CID 64568053
3,3,3-trifluoro-N'-hydroxy-2-[[[(1S)-1-phenylethyl]amino]methyl]propanimidamide
CID 103369723
3,3,3-trifluoro-N'-hydroxy-2-[(1-pyridin-2-ylethylamino)methyl]propanimidamide
CID 103369637
1-N-[1-(furan-2-yl)propan-2-yl]-4-methylpentane-1,2-diamine
CID 61470414
3,3,3-trifluoro-N'-hydroxy-2-[(3-methylbutan-2-ylamino)methyl]propanimidamide
CID 103369461
2-(2,2-dimethylpropyl)-N'-[1-(furan-2-yl)propan-2-yl]propane-1,3-diamine
CID 107473290
3-[[1-(furan-2-yl)propan-2-ylamino]methyl]pentan-3-ol
CID 65108451
1-(furan-2-yl)-N-(pyridazin-3-ylmethyl)propan-2-amine
CID 106894984
2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide
CID 77030711
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]phenol
CID 43432836
N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine
CID 79547595
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 43432946

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide?
The IUPAC name of 3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide (CID 103369752) is 3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide.
What is the SMILES notation for 3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide?
The canonical SMILES for 3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide is CC(Cc1ccco1)NCC(/C(N)=N/O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide?
The InChIKey is DLSHAEVNMLBOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-7(5-8-3-2-4-19-8)16-6-9(10(15)17-18)11(12,13)14/h2-4,7,9,16,18H,5-6H2,1H3,(H2,15,17).
What are the key properties of 3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide?
3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide has a molecular weight of 279.26 g/mol, XLogP of 1.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N'-hydroxypropanimidamide is sourced from PubChem (CID 103369752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).