N-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine

C24H36FNOSi — CID 175854679

IUPACN-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine
SMILESCC(C)[Si](C#Cc1cc(F)ccc1CON=C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C24H36FNOSi/c1-18(2)28(19(3)4,20(5)6)15-14-21-16-23(25)13-12-22(21)17-27-26-24-10-8-7-9-11-24/h12-13,16,18-20H,7-11,17H2,1-6H3
InChIKeyMFEXYDZMEHWVBC-UHFFFAOYSA-N
MW401.64 g/mol
LogP7.23
Rot. Bonds6

About N-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine

N-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine (PubChem CID 175854679) has the molecular formula C24H36FNOSi and a molecular weight of 401.64 g/mol. Its IUPAC name is N-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine.

Molecular Properties

Compound NameN-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine
PubChem CID175854679
Molecular FormulaC24H36FNOSi
Molecular Weight401.64 g/mol
Exact Mass401.26
IUPAC NameN-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine
SMILESCC(C)[Si](C#Cc1cc(F)ccc1CON=C1CCCCC1)(C(C)C)C(C)C
InChIInChI=1S/C24H36FNOSi/c1-18(2)28(19(3)4,20(5)6)15-14-21-16-23(25)13-12-22(21)17-27-26-24-10-8-7-9-11-24/h12-13,16,18-20H,7-11,17H2,1-6H3
InChIKeyMFEXYDZMEHWVBC-UHFFFAOYSA-N
XLogP7.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.64
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine?
The IUPAC name of N-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine (CID 175854679) is N-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine.
What is the SMILES notation for N-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine?
The canonical SMILES for N-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine is CC(C)[Si](C#Cc1cc(F)ccc1CON=C1CCCCC1)(C(C)C)C(C)C.
What is the InChIKey of N-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine?
The InChIKey is MFEXYDZMEHWVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FNOSi/c1-18(2)28(19(3)4,20(5)6)15-14-21-16-23(25)13-12-22(21)17-27-26-24-10-8-7-9-11-24/h12-13,16,18-20H,7-11,17H2,1-6H3.
What are the key properties of N-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine?
N-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine has a molecular weight of 401.64 g/mol, XLogP of 7.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-[2-tri(propan-2-yl)silylethynyl]phenyl]methoxy]cyclohexanimine is sourced from PubChem (CID 175854679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).