2-(1-adamantyliminomethyl)-6-fluorophenol

C17H20FNO — CID 136773229

IUPAC2-(1-adamantyliminomethyl)-6-fluorophenol
SMILESOc1c(F)cccc1/C=N/C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20FNO/c18-15-3-1-2-14(16(15)20)10-19-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,10-13,20H,4-9H2/b19-10+
InChIKeyYTIPVKYPPXOCNB-VXLYETTFSA-N
MW273.35 g/mol
LogP3.92
Rot. Bonds2

About 2-(1-adamantyliminomethyl)-6-fluorophenol

2-(1-adamantyliminomethyl)-6-fluorophenol (PubChem CID 136773229) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is 2-(1-adamantyliminomethyl)-6-fluorophenol.

Molecular Properties

Compound Name2-(1-adamantyliminomethyl)-6-fluorophenol
PubChem CID136773229
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC Name2-(1-adamantyliminomethyl)-6-fluorophenol
SMILESOc1c(F)cccc1/C=N/C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H20FNO/c18-15-3-1-2-14(16(15)20)10-19-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,10-13,20H,4-9H2/b19-10+
InChIKeyYTIPVKYPPXOCNB-VXLYETTFSA-N
XLogP3.92
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(1-adamantyliminomethyl)-6-tert-butylphenol
CID 136773230
2-fluoro-6-[[(1R,2R)-2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]cyclohexyl]iminomethyl]phenol
CID 139203860
2-fluoro-6-[2-[(3-fluoro-2-hydroxyphenyl)methylideneamino]ethyliminomethyl]phenol
CID 5232645
2-(1-adamantyliminomethyl)-4-bromophenol
CID 4047125
CID 89119542
CID 89119542
2-fluoro-6-[[4-[4-[(3-fluoro-2-hydroxyphenyl)methylideneamino]phenoxy]phenyl]iminomethyl]phenol
CID 135939522
1-[(E)-2-(2-fluorophenyl)ethenyl]adamantane
CID 10801086
1-(1-adamantyl)-3-[(E)-(2,3-dihydroxyphenyl)methylideneamino]thiourea
CID 137251423
N-(1-adamantyl)-1-pyridin-2-ylmethanimine
CID 585573
1-(1-adamantyl)-3-(2-fluorophenyl)prop-2-en-1-one
CID 72741547
2,6-bis(1-adamantyl)phenol
CID 14169592
bis(2,6-difluorophenol);zirconium
CID 161409047

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyliminomethyl)-6-fluorophenol?
The IUPAC name of 2-(1-adamantyliminomethyl)-6-fluorophenol (CID 136773229) is 2-(1-adamantyliminomethyl)-6-fluorophenol.
What is the SMILES notation for 2-(1-adamantyliminomethyl)-6-fluorophenol?
The canonical SMILES for 2-(1-adamantyliminomethyl)-6-fluorophenol is Oc1c(F)cccc1/C=N/C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyliminomethyl)-6-fluorophenol?
The InChIKey is YTIPVKYPPXOCNB-VXLYETTFSA-N. The full InChI is InChI=1S/C17H20FNO/c18-15-3-1-2-14(16(15)20)10-19-17-7-11-4-12(8-17)6-13(5-11)9-17/h1-3,10-13,20H,4-9H2/b19-10+.
What are the key properties of 2-(1-adamantyliminomethyl)-6-fluorophenol?
2-(1-adamantyliminomethyl)-6-fluorophenol has a molecular weight of 273.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyliminomethyl)-6-fluorophenol is sourced from PubChem (CID 136773229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).