4-(2-adamantyloxymethyl)-2-(trifluoromethyl)pyridine

C17H20F3NO — CID 162400550

IUPAC4-(2-adamantyloxymethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(COC2C3CC4CC(C3)CC2C4)ccn1
InChIInChI=1S/C17H20F3NO/c18-17(19,20)15-8-10(1-2-21-15)9-22-16-13-4-11-3-12(6-13)7-14(16)5-11/h1-2,8,11-14,16H,3-7,9H2
InChIKeyFGJYHKVLRZNJHY-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.44
Rot. Bonds3

About 4-(2-adamantyloxymethyl)-2-(trifluoromethyl)pyridine

4-(2-adamantyloxymethyl)-2-(trifluoromethyl)pyridine (PubChem CID 162400550) has the molecular formula C17H20F3NO and a molecular weight of 311.35 g/mol. Its IUPAC name is 4-(2-adamantyloxymethyl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(2-adamantyloxymethyl)-2-(trifluoromethyl)pyridine
PubChem CID162400550
Molecular FormulaC17H20F3NO
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name4-(2-adamantyloxymethyl)-2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cc(COC2C3CC4CC(C3)CC2C4)ccn1
InChIInChI=1S/C17H20F3NO/c18-17(19,20)15-8-10(1-2-21-15)9-22-16-13-4-11-3-12(6-13)7-14(16)5-11/h1-2,8,11-14,16H,3-7,9H2
InChIKeyFGJYHKVLRZNJHY-UHFFFAOYSA-N
XLogP4.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Adamantane-1-carboxylic acid (S)-1-pyridin-4-yl-ethyl ester
CID 9971194
Adamantane-1-carboxylic acid (R)-1-pyridin-4-yl-ethyl ester
CID 10827014
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]-4-(pyridin-2-ylmethyl)piperazine
CID 44358456
2-[(E)-2-[(1R,3aS,7aS)-2-phenylmethoxy-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]ethenyl]-5-(3-fluorophenyl)pyridine
CID 76317165
3-[[3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine
CID 44211405
2-[[3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]methyl]pyridine
CID 44211406
2-[[4-[(4-Fluorophenyl)methoxymethyl]piperidin-1-yl]methyl]pyridine
CID 19807296
3-(2,3,4,4a,6,6a,7,8,9,10b-Decahydro-1H-benzo[c]chromen-6-yl)pyridine
CID 572778
2-(2-Pyridyldifluoromethyl)-2-(2,4-difluorophenyl)oxirane
CID 10850521
2-(3-Benzyloxypropyl)pyridine
CID 122632851
5-[(2R,4S)-4-methyloxan-2-yl]-2-(trifluoromethyl)pyridine
CID 138976349
4-[(2R)-oxolan-2-yl]-2-(trifluoromethyl)pyridine
CID 138979697

Frequently Asked Questions

What is the IUPAC name of 4-(2-adamantyloxymethyl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 4-(2-adamantyloxymethyl)-2-(trifluoromethyl)pyridine (CID 162400550) is 4-(2-adamantyloxymethyl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(2-adamantyloxymethyl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(2-adamantyloxymethyl)-2-(trifluoromethyl)pyridine is FC(F)(F)c1cc(COC2C3CC4CC(C3)CC2C4)ccn1.
What is the InChIKey of 4-(2-adamantyloxymethyl)-2-(trifluoromethyl)pyridine?
The InChIKey is FGJYHKVLRZNJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO/c18-17(19,20)15-8-10(1-2-21-15)9-22-16-13-4-11-3-12(6-13)7-14(16)5-11/h1-2,8,11-14,16H,3-7,9H2.
What are the key properties of 4-(2-adamantyloxymethyl)-2-(trifluoromethyl)pyridine?
4-(2-adamantyloxymethyl)-2-(trifluoromethyl)pyridine has a molecular weight of 311.35 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-adamantyloxymethyl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 162400550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).