2-fluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-4-hydroxybutoxy)propoxy]ethanimidamide

C9H9F11N2O3 — CID 175737917

IUPAC2-fluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-4-hydroxybutoxy)propoxy]ethanimidamide
SMILES[H]/N=C(\N)C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)CCO)C(F)(F)F
InChIInChI=1S/C9H9F11N2O3/c10-3(4(21)22)24-9(19,20)6(13,7(14,15)16)25-8(17,18)5(11,12)1-2-23/h3,23H,1-2H2,(H3,21,22)
InChIKeyIUSFSURREACNRJ-UHFFFAOYSA-N
MW402.16 g/mol
LogP2.68
Rot. Bonds9

About 2-fluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-4-hydroxybutoxy)propoxy]ethanimidamide

2-fluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-4-hydroxybutoxy)propoxy]ethanimidamide (PubChem CID 175737917) has the molecular formula C9H9F11N2O3 and a molecular weight of 402.16 g/mol. Its IUPAC name is 2-fluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-4-hydroxybutoxy)propoxy]ethanimidamide.

Molecular Properties

Compound Name2-fluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-4-hydroxybutoxy)propoxy]ethanimidamide
PubChem CID175737917
Molecular FormulaC9H9F11N2O3
Molecular Weight402.16 g/mol
Exact Mass402.04
IUPAC Name2-fluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-4-hydroxybutoxy)propoxy]ethanimidamide
SMILES[H]/N=C(\N)C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)CCO)C(F)(F)F
InChIInChI=1S/C9H9F11N2O3/c10-3(4(21)22)24-9(19,20)6(13,7(14,15)16)25-8(17,18)5(11,12)1-2-23/h3,23H,1-2H2,(H3,21,22)
InChIKeyIUSFSURREACNRJ-UHFFFAOYSA-N
XLogP2.68
TPSA88.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.16
LogP ≤ 52.68
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-4-hydroxybutoxy)propoxy]ethanimidamide?
The IUPAC name of 2-fluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-4-hydroxybutoxy)propoxy]ethanimidamide (CID 175737917) is 2-fluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-4-hydroxybutoxy)propoxy]ethanimidamide.
What is the SMILES notation for 2-fluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-4-hydroxybutoxy)propoxy]ethanimidamide?
The canonical SMILES for 2-fluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-4-hydroxybutoxy)propoxy]ethanimidamide is [H]/N=C(\N)C(F)OC(F)(F)C(F)(OC(F)(F)C(F)(F)CCO)C(F)(F)F.
What is the InChIKey of 2-fluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-4-hydroxybutoxy)propoxy]ethanimidamide?
The InChIKey is IUSFSURREACNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F11N2O3/c10-3(4(21)22)24-9(19,20)6(13,7(14,15)16)25-8(17,18)5(11,12)1-2-23/h3,23H,1-2H2,(H3,21,22).
What are the key properties of 2-fluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-4-hydroxybutoxy)propoxy]ethanimidamide?
2-fluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-4-hydroxybutoxy)propoxy]ethanimidamide has a molecular weight of 402.16 g/mol, XLogP of 2.68, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2-tetrafluoro-4-hydroxybutoxy)propoxy]ethanimidamide is sourced from PubChem (CID 175737917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).