3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride

C7F9NO2 — CID 139785161

IUPAC3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride
SMILESO=C(F)C#CN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C7F9NO2/c8-3(18)1-2-17-4(9,10)6(13,14)19-7(15,16)5(17,11)12
InChIKeyYZKOOYUHHIUCPW-UHFFFAOYSA-N
MW301.06 g/mol
LogP2.15
Rot. Bonds

About 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride

3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride (PubChem CID 139785161) has the molecular formula C7F9NO2 and a molecular weight of 301.06 g/mol. Its IUPAC name is 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride.

Molecular Properties

Compound Name3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride
PubChem CID139785161
Molecular FormulaC7F9NO2
Molecular Weight301.06 g/mol
Exact Mass300.98
IUPAC Name3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride
SMILESO=C(F)C#CN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F
InChIInChI=1S/C7F9NO2/c8-3(18)1-2-17-4(9,10)6(13,14)19-7(15,16)5(17,11)12
InChIKeyYZKOOYUHHIUCPW-UHFFFAOYSA-N
XLogP2.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.06
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,2-difluoroethenyl)-2,2,3,3,5,5,6,6-octafluoromorpholine
CID 166464833
potassium 2,2,3,3-tetrafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)propanoate
CID 4220247
azanium 2,2,3,4,4,4-hexafluoro-3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)butanoate
CID 129185151
2,2,3,3,4,5,5,6,6-nonafluorooxane-4-carbonyl fluoride
CID 11403631
CID 177450711
CID 177450711
tetralithium;tetracarbonofluoridate
CID 158341218
2,2,3,3,5,5,6,6-octafluoro-4-[(Z)-1,3,3,3-tetrafluoro-2-methoxyprop-1-enyl]morpholine
CID 118663194
2,2,4,5,5-pentafluoro-1,3-dioxolane-4-carbonyl fluoride
CID 11333283
4-iodobutyl 2,2-difluoro-2-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)acetate
CID 172773938
2,2,3,3,5,5,6,6-octafluoro-4-(2,3,3,4,4,5,5-heptafluoropent-1-enyl)morpholine
CID 166464827
2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)morpholine
CID 14172428
2-[difluoro-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)methyl]-2,3,3,3-tetrafluoropropan-1-ol
CID 135365570

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride?
The IUPAC name of 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride (CID 139785161) is 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride.
What is the SMILES notation for 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride?
The canonical SMILES for 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride is O=C(F)C#CN1C(F)(F)C(F)(F)OC(F)(F)C1(F)F.
What is the InChIKey of 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride?
The InChIKey is YZKOOYUHHIUCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F9NO2/c8-3(18)1-2-17-4(9,10)6(13,14)19-7(15,16)5(17,11)12.
What are the key properties of 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride?
3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride has a molecular weight of 301.06 g/mol, XLogP of 2.15, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3,5,5,6,6-octafluoromorpholin-4-yl)prop-2-ynoyl fluoride is sourced from PubChem (CID 139785161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).