(2,2-difluoro-2-fluorooxyethyl) pyridine-2-carboxylate;2-fluoroethyl pyridine-2-carboxylate;fluoromethyl hypofluorite;methane;1,1,2-trifluoroethyl hypofluorite

C23H34F10N2O7 — CID 158218676

IUPAC(2,2-difluoro-2-fluorooxyethyl) pyridine-2-carboxylate;2-fluoroethyl pyridine-2-carboxylate;fluoromethyl hypofluorite;methane;1,1,2-trifluoroethyl hypofluorite
SMILESC.C.C.C.FCC(F)(F)OF.FCOF.O=C(OCC(F)(F)OF)c1ccccn1.O=C(OCCF)c1ccccn1
InChIInChI=1S/C8H6F3NO3.C8H8FNO2.C2H2F4O.CH2F2O.4CH4/c9-8(10,15-11)5-14-7(13)6-3-1-2-4-12-6;9-4-6-12-8(11)7-3-1-2-5-10-7;3-1-2(4,5)7-6;2-1-4-3;;;;/h1-4H,5H2;1-3,5H,4,6H2;1H2;1H2;4*1H4
InChIKeyGCZACIISHSTMBB-UHFFFAOYSA-N
MW640.51 g/mol
LogP7.75
Rot. Bonds10

About (2,2-difluoro-2-fluorooxyethyl) pyridine-2-carboxylate;2-fluoroethyl pyridine-2-carboxylate;fluoromethyl hypofluorite;methane;1,1,2-trifluoroethyl hypofluorite

(2,2-difluoro-2-fluorooxyethyl) pyridine-2-carboxylate;2-fluoroethyl pyridine-2-carboxylate;fluoromethyl hypofluorite;methane;1,1,2-trifluoroethyl hypofluorite (PubChem CID 158218676) has the molecular formula C23H34F10N2O7 and a molecular weight of 640.51 g/mol. Its IUPAC name is (2,2-difluoro-2-fluorooxyethyl) pyridine-2-carboxylate;2-fluoroethyl pyridine-2-carboxylate;fluoromethyl hypofluorite;methane;1,1,2-trifluoroethyl hypofluorite.

Molecular Properties

Compound Name(2,2-difluoro-2-fluorooxyethyl) pyridine-2-carboxylate;2-fluoroethyl pyridine-2-carboxylate;fluoromethyl hypofluorite;methane;1,1,2-trifluoroethyl hypofluorite
PubChem CID158218676
Molecular FormulaC23H34F10N2O7
Molecular Weight640.51 g/mol
Exact Mass640.22
IUPAC Name(2,2-difluoro-2-fluorooxyethyl) pyridine-2-carboxylate;2-fluoroethyl pyridine-2-carboxylate;fluoromethyl hypofluorite;methane;1,1,2-trifluoroethyl hypofluorite
SMILESC.C.C.C.FCC(F)(F)OF.FCOF.O=C(OCC(F)(F)OF)c1ccccn1.O=C(OCCF)c1ccccn1
InChIInChI=1S/C8H6F3NO3.C8H8FNO2.C2H2F4O.CH2F2O.4CH4/c9-8(10,15-11)5-14-7(13)6-3-1-2-4-12-6;9-4-6-12-8(11)7-3-1-2-5-10-7;3-1-2(4,5)7-6;2-1-4-3;;;;/h1-4H,5H2;1-3,5H,4,6H2;1H2;1H2;4*1H4
InChIKeyGCZACIISHSTMBB-UHFFFAOYSA-N
XLogP7.75
TPSA106.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.51
LogP ≤ 57.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Chromium(III) picolinate
CID 151932
Zinc Picolinate
CID 9904746
Ethyl 2-pyridinecarboxylate
CID 17307
2-Carbomethoxypyridine
CID 75569
Chromium picolinate monohydrate
CID 22833491
3-(Pyridine-2-carbonyloxy)propyl 3,5,6-trimethylpyrazine-2-carboxylate
CID 168296372
[2-(4-Acetamidoanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 2357468
Butyl pyridine-2-carboxylate
CID 79285
Decyl pyridine-2-carboxylate
CID 219539
[4-(Pyridine-2-carbonyloxymethyl)phenyl]methyl pyridine-2-carboxylate
CID 2394574
Ethyl 5-methylpyridine-2-carboxylate
CID 12243769
Methyl 5-fluoropyridine-2-carboxylate
CID 23053520

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-2-fluorooxyethyl) pyridine-2-carboxylate;2-fluoroethyl pyridine-2-carboxylate;fluoromethyl hypofluorite;methane;1,1,2-trifluoroethyl hypofluorite?
The IUPAC name of (2,2-difluoro-2-fluorooxyethyl) pyridine-2-carboxylate;2-fluoroethyl pyridine-2-carboxylate;fluoromethyl hypofluorite;methane;1,1,2-trifluoroethyl hypofluorite (CID 158218676) is (2,2-difluoro-2-fluorooxyethyl) pyridine-2-carboxylate;2-fluoroethyl pyridine-2-carboxylate;fluoromethyl hypofluorite;methane;1,1,2-trifluoroethyl hypofluorite.
What is the SMILES notation for (2,2-difluoro-2-fluorooxyethyl) pyridine-2-carboxylate;2-fluoroethyl pyridine-2-carboxylate;fluoromethyl hypofluorite;methane;1,1,2-trifluoroethyl hypofluorite?
The canonical SMILES for (2,2-difluoro-2-fluorooxyethyl) pyridine-2-carboxylate;2-fluoroethyl pyridine-2-carboxylate;fluoromethyl hypofluorite;methane;1,1,2-trifluoroethyl hypofluorite is C.C.C.C.FCC(F)(F)OF.FCOF.O=C(OCC(F)(F)OF)c1ccccn1.O=C(OCCF)c1ccccn1.
What is the InChIKey of (2,2-difluoro-2-fluorooxyethyl) pyridine-2-carboxylate;2-fluoroethyl pyridine-2-carboxylate;fluoromethyl hypofluorite;methane;1,1,2-trifluoroethyl hypofluorite?
The InChIKey is GCZACIISHSTMBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3.C8H8FNO2.C2H2F4O.CH2F2O.4CH4/c9-8(10,15-11)5-14-7(13)6-3-1-2-4-12-6;9-4-6-12-8(11)7-3-1-2-5-10-7;3-1-2(4,5)7-6;2-1-4-3;;;;/h1-4H,5H2;1-3,5H,4,6H2;1H2;1H2;4*1H4.
What are the key properties of (2,2-difluoro-2-fluorooxyethyl) pyridine-2-carboxylate;2-fluoroethyl pyridine-2-carboxylate;fluoromethyl hypofluorite;methane;1,1,2-trifluoroethyl hypofluorite?
(2,2-difluoro-2-fluorooxyethyl) pyridine-2-carboxylate;2-fluoroethyl pyridine-2-carboxylate;fluoromethyl hypofluorite;methane;1,1,2-trifluoroethyl hypofluorite has a molecular weight of 640.51 g/mol, XLogP of 7.75, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-2-fluorooxyethyl) pyridine-2-carboxylate;2-fluoroethyl pyridine-2-carboxylate;fluoromethyl hypofluorite;methane;1,1,2-trifluoroethyl hypofluorite is sourced from PubChem (CID 158218676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).