4-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)pyridine

C14H12F3NO — CID 154715913

IUPAC4-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)pyridine
SMILESCOC(c1ccccc1)(c1ccncc1)C(F)(F)F
InChIInChI=1S/C14H12F3NO/c1-19-13(14(15,16)17,11-5-3-2-4-6-11)12-7-9-18-10-8-12/h2-10H,1H3
InChIKeyNRBXPIMQXGLFNI-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.53
Rot. Bonds3

About 4-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)pyridine

4-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)pyridine (PubChem CID 154715913) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is 4-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)pyridine.

Molecular Properties

Compound Name4-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)pyridine
PubChem CID154715913
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name4-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)pyridine
SMILESCOC(c1ccccc1)(c1ccncc1)C(F)(F)F
InChIInChI=1S/C14H12F3NO/c1-19-13(14(15,16)17,11-5-3-2-4-6-11)12-7-9-18-10-8-12/h2-10H,1H3
InChIKeyNRBXPIMQXGLFNI-UHFFFAOYSA-N
XLogP3.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3162
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(4-Methylphenyl)(4-pyridinyl)methanol
CID 3383504
4-Pyridinecarboxaldehyde, O-(phenylmethyl)oxime
CID 96307
Doxylamine alcohol
CID 86883
o-Benzylnicotinaldoxime
CID 248756
2-Methyl-1,2-di-pyridin-3-yl-1-methoxypropane
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2-Methyl-1-phenyl-2-pyridin-3-yl-propan-1-ol
CID 44299143
4-(3-Fluoro-phenyl)-1-pyridin-4-ylmethyl-piperidin-4-ol
CID 645747
2-[[4-(4-Fluorophenyl)-1-methylpiperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
CID 71541376

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)pyridine?
The IUPAC name of 4-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)pyridine (CID 154715913) is 4-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)pyridine.
What is the SMILES notation for 4-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)pyridine?
The canonical SMILES for 4-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)pyridine is COC(c1ccccc1)(c1ccncc1)C(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)pyridine?
The InChIKey is NRBXPIMQXGLFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-19-13(14(15,16)17,11-5-3-2-4-6-11)12-7-9-18-10-8-12/h2-10H,1H3.
What are the key properties of 4-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)pyridine?
4-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)pyridine has a molecular weight of 267.25 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoro-1-methoxy-1-phenylethyl)pyridine is sourced from PubChem (CID 154715913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).