1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol

C9H9F10NO2 — CID 153446280

IUPAC1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol
SMILESC=CCOCC(F)(F)C(F)(F)NC(F)(F)C(F)(F)C(O)(F)F
InChIInChI=1S/C9H9F10NO2/c1-2-3-22-4-5(10,11)7(14,15)20-8(16,17)6(12,13)9(18,19)21/h2,20-21H,1,3-4H2
InChIKeyZFHUFRJXPSQRFI-UHFFFAOYSA-N
MW353.16 g/mol
LogP2.82
Rot. Bonds9

About 1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol

1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol (PubChem CID 153446280) has the molecular formula C9H9F10NO2 and a molecular weight of 353.16 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol
PubChem CID153446280
Molecular FormulaC9H9F10NO2
Molecular Weight353.16 g/mol
Exact Mass353.05
IUPAC Name1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol
SMILESC=CCOCC(F)(F)C(F)(F)NC(F)(F)C(F)(F)C(O)(F)F
InChIInChI=1S/C9H9F10NO2/c1-2-3-22-4-5(10,11)7(14,15)20-8(16,17)6(12,13)9(18,19)21/h2,20-21H,1,3-4H2
InChIKeyZFHUFRJXPSQRFI-UHFFFAOYSA-N
XLogP2.82
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-10-prop-2-enoxydecane
CID 102243921
1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-7-prop-2-enoxyheptane
CID 102243922
1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoro-7-(trifluoromethylamino)heptan-1-ol
CID 87846440
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluoro-11-prop-2-enoxyundecane
CID 101145950
(1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite
CID 153281481
1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl)oxypropane
CID 75412010
1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane
CID 125489573
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-11-[2-methyl-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propoxy]undecane
CID 11115003
3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate
CID 141198690
3-(2-hydroxyethyl)-3-(prop-2-enoxymethyl)pentane-1,5-diol
CID 101473517
2-(hydroxymethyl)-2-[[2-(hydroxymethyl)-2-[[2-(hydroxymethyl)-3-prop-2-enoxy-2-(prop-2-enoxymethyl)propoxy]methyl]-3-prop-2-enoxypropoxy]methyl]propane-1,3-diol
CID 170562720
ethyl 2,2-difluoro-3-prop-2-enoxypropanoate
CID 165466610

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol (CID 153446280) is 1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol is C=CCOCC(F)(F)C(F)(F)NC(F)(F)C(F)(F)C(O)(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol?
The InChIKey is ZFHUFRJXPSQRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F10NO2/c1-2-3-22-4-5(10,11)7(14,15)20-8(16,17)6(12,13)9(18,19)21/h2,20-21H,1,3-4H2.
What are the key properties of 1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol?
1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol has a molecular weight of 353.16 g/mol, XLogP of 2.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-3-[(1,1,2,2-tetrafluoro-3-prop-2-enoxypropyl)amino]propan-1-ol is sourced from PubChem (CID 153446280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).