(3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine

C10F21NO — CID 14716460

IUPAC(3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1O[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F21NO/c11-1(12,3(15,16)7(23,24)25)5(19,20)9(29,30)32-10(31,33-32)6(21,22)2(13,14)4(17,18)8(26,27)28/t10-,32?/m1/s1
InChIKeyKFVOFFBRJZOZJV-FLBGEPSVSA-N
MW549.07 g/mol
LogP6.39
Rot. Bonds7

About (3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine

(3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine (PubChem CID 14716460) has the molecular formula C10F21NO and a molecular weight of 549.07 g/mol. Its IUPAC name is (3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine.

Molecular Properties

Compound Name(3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine
PubChem CID14716460
Molecular FormulaC10F21NO
Molecular Weight549.07 g/mol
Exact Mass548.96
IUPAC Name(3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1O[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10F21NO/c11-1(12,3(15,16)7(23,24)25)5(19,20)9(29,30)32-10(31,33-32)6(21,22)2(13,14)4(17,18)8(26,27)28/t10-,32?/m1/s1
InChIKeyKFVOFFBRJZOZJV-FLBGEPSVSA-N
XLogP6.39
TPSA15.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.07
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine with MolForge

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Related Compounds

(3S)-3-fluoro-2,3-bis(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxaziridine
CID 11827191
(2R,3S)-2,3-difluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxirane
CID 98115471
(2S,3R)-2,3-difluoro-2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)oxirane
CID 98115470
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-octadecafluorooctane;hydrochloride
CID 172708323
(5S)-2,2,3,3,4,4,5-heptafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane
CID 95054915
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrole
CID 11728733
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine
CID 54109001
CID 175811708
CID 175811708
1,1,1,2,2,3,3,4,4,4-decafluorobutane;hydrofluoride
CID 175814235
2,3-difluoro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(1,1,2,2,2-pentafluoroethyl)oxirane
CID 88593540

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine?
The IUPAC name of (3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine (CID 14716460) is (3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine.
What is the SMILES notation for (3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine?
The canonical SMILES for (3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)N1O[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine?
The InChIKey is KFVOFFBRJZOZJV-FLBGEPSVSA-N. The full InChI is InChI=1S/C10F21NO/c11-1(12,3(15,16)7(23,24)25)5(19,20)9(29,30)32-10(31,33-32)6(21,22)2(13,14)4(17,18)8(26,27)28/t10-,32?/m1/s1.
What are the key properties of (3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine?
(3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine has a molecular weight of 549.07 g/mol, XLogP of 6.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxaziridine is sourced from PubChem (CID 14716460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).