(1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite

C6H7F5O2 — CID 153281481

IUPAC(1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite
SMILESC=CCOCC(F)(OF)C(F)(F)F
InChIInChI=1S/C6H7F5O2/c1-2-3-12-4-5(7,13-11)6(8,9)10/h2H,1,3-4H2
InChIKeyDPPZETREJYTMKS-UHFFFAOYSA-N
MW206.11 g/mol
LogP2.32
Rot. Bonds5

About (1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite

(1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite (PubChem CID 153281481) has the molecular formula C6H7F5O2 and a molecular weight of 206.11 g/mol. Its IUPAC name is (1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite.

Molecular Properties

Compound Name(1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite
PubChem CID153281481
Molecular FormulaC6H7F5O2
Molecular Weight206.11 g/mol
Exact Mass206.04
IUPAC Name(1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite
SMILESC=CCOCC(F)(OF)C(F)(F)F
InChIInChI=1S/C6H7F5O2/c1-2-3-12-4-5(7,13-11)6(8,9)10/h2H,1,3-4H2
InChIKeyDPPZETREJYTMKS-UHFFFAOYSA-N
XLogP2.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.11
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl)oxypropane
CID 75412010
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
Potassium allyloxide
CID 87828396
1-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propane
CID 125489573
3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol;hydrate
CID 141198690
1,1,2-tris(prop-2-enoxy)ethylsilane
CID 173115766
ethyl 2,2-difluoro-3-prop-2-enoxypropanoate
CID 165466610
2,2,3,3,4-pentafluorobutyl prop-2-enoate;3-prop-2-enoyloxypropyl prop-2-enoate;(2,3,3,3-tetrafluoro-2-fluorooxypropyl) prop-2-enoate;[2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propyl] prop-2-enoate
CID 91362069
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
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

Frequently Asked Questions

What is the IUPAC name of (1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite?
The IUPAC name of (1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite (CID 153281481) is (1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite.
What is the SMILES notation for (1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite?
The canonical SMILES for (1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite is C=CCOCC(F)(OF)C(F)(F)F.
What is the InChIKey of (1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite?
The InChIKey is DPPZETREJYTMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F5O2/c1-2-3-12-4-5(7,13-11)6(8,9)10/h2H,1,3-4H2.
What are the key properties of (1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite?
(1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite has a molecular weight of 206.11 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1,2-tetrafluoro-3-prop-2-enoxypropan-2-yl) hypofluorite is sourced from PubChem (CID 153281481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).