4-(fluoromethyl)-2-(trifluoromethoxy)pyridine

C7H5F4NO — CID 118841037

IUPAC4-(fluoromethyl)-2-(trifluoromethoxy)pyridine
SMILESFCc1ccnc(OC(F)(F)F)c1
InChIInChI=1S/C7H5F4NO/c8-4-5-1-2-12-6(3-5)13-7(9,10)11/h1-3H,4H2
InChIKeyHTBQPOPGBJPRBZ-UHFFFAOYSA-N
MW195.12 g/mol
LogP2.45
Rot. Bonds2

About 4-(fluoromethyl)-2-(trifluoromethoxy)pyridine

4-(fluoromethyl)-2-(trifluoromethoxy)pyridine (PubChem CID 118841037) has the molecular formula C7H5F4NO and a molecular weight of 195.12 g/mol. Its IUPAC name is 4-(fluoromethyl)-2-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name4-(fluoromethyl)-2-(trifluoromethoxy)pyridine
PubChem CID118841037
Molecular FormulaC7H5F4NO
Molecular Weight195.12 g/mol
Exact Mass195.03
IUPAC Name4-(fluoromethyl)-2-(trifluoromethoxy)pyridine
SMILESFCc1ccnc(OC(F)(F)F)c1
InChIInChI=1S/C7H5F4NO/c8-4-5-1-2-12-6(3-5)13-7(9,10)11/h1-3H,4H2
InChIKeyHTBQPOPGBJPRBZ-UHFFFAOYSA-N
XLogP2.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.12
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-2-(trifluoromethoxy)pyridine
CID 122546052
2-chloro-4-(fluoromethyl)pyridine
CID 105428891
[2-[(2-methylpropan-2-yl)oxy]-4-pyridinyl]methanol
CID 61257367
[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methanamine;dihydrochloride
CID 154617782
[2-(2-fluoroethoxy)-4-pyridinyl]methanamine
CID 171787152
2-ethyl-4-(trifluoromethoxy)pyridine
CID 166104066
2-fluoro-4-(fluoromethyl)-3-(trifluoromethoxy)pyridine
CID 130092162
[2-iodo-6-(trifluoromethoxy)-4-pyridinyl]methanamine
CID 130092413
2,5-bis(trifluoromethoxy)pyrazine
CID 119084225
2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine
CID 115696982
2-fluoro-3-(fluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134664924
4-methyl-6-(trifluoromethoxy)pyrimidine
CID 167503979

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2-(trifluoromethoxy)pyridine?
The IUPAC name of 4-(fluoromethyl)-2-(trifluoromethoxy)pyridine (CID 118841037) is 4-(fluoromethyl)-2-(trifluoromethoxy)pyridine.
What is the SMILES notation for 4-(fluoromethyl)-2-(trifluoromethoxy)pyridine?
The canonical SMILES for 4-(fluoromethyl)-2-(trifluoromethoxy)pyridine is FCc1ccnc(OC(F)(F)F)c1.
What is the InChIKey of 4-(fluoromethyl)-2-(trifluoromethoxy)pyridine?
The InChIKey is HTBQPOPGBJPRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4NO/c8-4-5-1-2-12-6(3-5)13-7(9,10)11/h1-3H,4H2.
What are the key properties of 4-(fluoromethyl)-2-(trifluoromethoxy)pyridine?
4-(fluoromethyl)-2-(trifluoromethoxy)pyridine has a molecular weight of 195.12 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2-(trifluoromethoxy)pyridine is sourced from PubChem (CID 118841037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).