(NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine

C27H38F13NO3Si2 — CID 54770336

IUPAC(NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(CO[Si](C)(C)C(C)(C)C)cc(/C(=N\O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C27H38F13NO3Si2/c1-20(2,3)45(7,8)43-14-16-11-17(15-44-46(9,10)21(4,5)6)13-18(12-16)19(41-42)22(28,29)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40/h11-13,42H,14-15H2,1-10H3/b41-19+
InChIKeyBVXZMRRINBBFRU-CCZPUOSUSA-N
MW727.75 g/mol
LogP10.65
Rot. Bonds12

About (NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine

(NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine (PubChem CID 54770336) has the molecular formula C27H38F13NO3Si2 and a molecular weight of 727.75 g/mol. Its IUPAC name is (NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine
PubChem CID54770336
Molecular FormulaC27H38F13NO3Si2
Molecular Weight727.75 g/mol
Exact Mass727.22
IUPAC Name(NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine
SMILESCC(C)(C)[Si](C)(C)OCc1cc(CO[Si](C)(C)C(C)(C)C)cc(/C(=N\O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C27H38F13NO3Si2/c1-20(2,3)45(7,8)43-14-16-11-17(15-44-46(9,10)21(4,5)6)13-18(12-16)19(41-42)22(28,29)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40/h11-13,42H,14-15H2,1-10H3/b41-19+
InChIKeyBVXZMRRINBBFRU-CCZPUOSUSA-N
XLogP10.65
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.75
LogP ≤ 510.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine with MolForge

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Related Compounds

tert-butyl-dimethyl-[(3,4,5-trifluorophenyl)methoxy]silane
CID 91735449
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-difluorobenzonitrile
CID 161218423
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]ethanone
CID 171363881
5-[[tert-butyl(dimethyl)silyl]oxymethyl]benzene-1,3-diamine
CID 71429023
3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenol
CID 14940556
methyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methoxybenzoate
CID 58377303
[4-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane
CID 10757711
[3-(bromomethyl)phenyl]methoxy-tert-butyl-dimethylsilane;[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]methanol
CID 159353997
tert-butyl-dimethyl-[[3-(1-phenylethenyl)phenyl]methoxy]silane
CID 86054113
1-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]propan-1-one
CID 70662263
bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate
CID 10325443
(2-bromo-6-methyl-4-pyridinyl)methoxy-tert-butyl-dimethylsilane
CID 142618982

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine (CID 54770336) is (NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine is CC(C)(C)[Si](C)(C)OCc1cc(CO[Si](C)(C)C(C)(C)C)cc(/C(=N\O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1.
What is the InChIKey of (NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine?
The InChIKey is BVXZMRRINBBFRU-CCZPUOSUSA-N. The full InChI is InChI=1S/C27H38F13NO3Si2/c1-20(2,3)45(7,8)43-14-16-11-17(15-44-46(9,10)21(4,5)6)13-18(12-16)19(41-42)22(28,29)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40/h11-13,42H,14-15H2,1-10H3/b41-19+.
What are the key properties of (NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine?
(NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine has a molecular weight of 727.75 g/mol, XLogP of 10.65, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene]hydroxylamine is sourced from PubChem (CID 54770336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).