3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide

C8H14F4N2O — CID 43175362

IUPAC3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)OCC(F)(F)C(F)F
InChIInChI=1S/C8H14F4N2O/c1-2-5(3-6(13)14)15-4-8(11,12)7(9)10/h5,7H,2-4H2,1H3,(H3,13,14)
InChIKeyALUHLHHYTKEUMU-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.01
Rot. Bonds7

About 3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide

3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide (PubChem CID 43175362) has the molecular formula C8H14F4N2O and a molecular weight of 230.20 g/mol. Its IUPAC name is 3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide.

Molecular Properties

Compound Name3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide
PubChem CID43175362
Molecular FormulaC8H14F4N2O
Molecular Weight230.20 g/mol
Exact Mass230.10
IUPAC Name3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)OCC(F)(F)C(F)F
InChIInChI=1S/C8H14F4N2O/c1-2-5(3-6(13)14)15-4-8(11,12)7(9)10/h5,7H,2-4H2,1H3,(H3,13,14)
InChIKeyALUHLHHYTKEUMU-UHFFFAOYSA-N
XLogP2.01
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-3-(2,2,2-trifluoroethoxy)pentanimidamide
CID 43175188
N'-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide
CID 43175339
3-(2,2,2-Trifluoroethoxy)pentanimidamide
CID 43368483
3-(1,1,1-Trifluoropropan-2-yloxy)propanimidamide
CID 66274598
5-(1,1,1-Trifluoropropan-2-yloxy)pentanimidamide
CID 66274818
3-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)propanimidamide
CID 102722351
2-(Butan-2-yloxymethyl)-3,3,3-trifluoropropanimidamide
CID 103371002
3,3,3-Trifluoro-2-(1,1,1-trifluoropropan-2-yloxymethyl)propanimidamide
CID 103371071
3,3,3-Trifluoro-2-(pentan-2-yloxymethyl)propanimidamide
CID 103371107
5-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)pentanimidamide
CID 113728673
3-(2,2,2-Trifluoroethoxy)butanimidamide
CID 114995833
3-(2,2,3,3-Tetrafluoropropoxy)butanimidamide
CID 114995945

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide?
The IUPAC name of 3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide (CID 43175362) is 3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide.
What is the SMILES notation for 3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide?
The canonical SMILES for 3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide is [H]/N=C(\N)CC(CC)OCC(F)(F)C(F)F.
What is the InChIKey of 3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide?
The InChIKey is ALUHLHHYTKEUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F4N2O/c1-2-5(3-6(13)14)15-4-8(11,12)7(9)10/h5,7H,2-4H2,1H3,(H3,13,14).
What are the key properties of 3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide?
3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide has a molecular weight of 230.20 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3-tetrafluoropropoxy)pentanimidamide is sourced from PubChem (CID 43175362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).