4-[[4-(5-ethyl-2-pyridinyl)cyclohexyl]methoxy]-2-fluorobenzonitrile

C21H23FN2O — CID 70350329

IUPAC4-[[4-(5-ethyl-2-pyridinyl)cyclohexyl]methoxy]-2-fluorobenzonitrile
SMILESCCc1ccc(C2CCC(COc3ccc(C#N)c(F)c3)CC2)nc1
InChIInChI=1S/C21H23FN2O/c1-2-15-5-10-21(24-13-15)17-6-3-16(4-7-17)14-25-19-9-8-18(12-23)20(22)11-19/h5,8-11,13,16-17H,2-4,6-7,14H2,1H3
InChIKeyLYWNPHBMFDQYHO-UHFFFAOYSA-N
MW338.43 g/mol
LogP5.01
Rot. Bonds5

About 4-[[4-(5-ethyl-2-pyridinyl)cyclohexyl]methoxy]-2-fluorobenzonitrile

4-[[4-(5-ethyl-2-pyridinyl)cyclohexyl]methoxy]-2-fluorobenzonitrile (PubChem CID 70350329) has the molecular formula C21H23FN2O and a molecular weight of 338.43 g/mol. Its IUPAC name is 4-[[4-(5-ethyl-2-pyridinyl)cyclohexyl]methoxy]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[[4-(5-ethyl-2-pyridinyl)cyclohexyl]methoxy]-2-fluorobenzonitrile
PubChem CID70350329
Molecular FormulaC21H23FN2O
Molecular Weight338.43 g/mol
Exact Mass338.18
IUPAC Name4-[[4-(5-ethyl-2-pyridinyl)cyclohexyl]methoxy]-2-fluorobenzonitrile
SMILESCCc1ccc(C2CCC(COc3ccc(C#N)c(F)c3)CC2)nc1
InChIInChI=1S/C21H23FN2O/c1-2-15-5-10-21(24-13-15)17-6-3-16(4-7-17)14-25-19-9-8-18(12-23)20(22)11-19/h5,8-11,13,16-17H,2-4,6-7,14H2,1H3
InChIKeyLYWNPHBMFDQYHO-UHFFFAOYSA-N
XLogP5.01
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.43
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[4-(5-dodecylpyrimidin-2-yl)cyclohexyl]methoxy]-2-fluorobenzonitrile
CID 21288730
4-[[4-(5-hexylpyrimidin-2-yl)cyclohexyl]methoxy]benzene-1,2-dicarbonitrile
CID 70427179
(4-cyano-3-fluorophenyl) 2-fluoro-4-[(4-nonylcyclohexyl)methoxy]benzoate
CID 54518181
(4-cyano-3-fluorophenyl) 2-fluoro-4-[(4-heptylcyclohexyl)methoxy]benzoate
CID 54228332
4-[4-cyano-3-fluoro-2-[[4-(5-nonyl-2-pyridinyl)cyclohexyl]methyl]phenoxy]-2-fluoro-3-[[4-(5-nonyl-2-pyridinyl)cyclohexyl]methyl]benzonitrile
CID 70350215
4-[[4-(5-ethylpyrimidin-2-yl)cyclohexyl]methoxy]-3-fluorobenzonitrile
CID 70350204
2-fluoro-4-[(5-methyloxolan-2-yl)methoxy]benzonitrile
CID 103143092
4-[5-(4-ethylcyclohexyl)-2-pyridinyl]-2-fluorobenzonitrile
CID 139818205
4-[difluoro-[4-[4-[(Z)-pent-2-enyl]cyclohexyl]phenyl]methoxy]-2-fluorobenzonitrile
CID 67593665
2-fluoro-4-(pyrrolidin-2-ylmethoxy)benzonitrile
CID 107923348
4-[[4-(5-decylpyrimidin-2-yl)phenyl]methoxy]-2-fluorobenzonitrile
CID 21288785
4-(2-cyclopentyl-2-oxoethoxy)-2-fluorobenzonitrile
CID 113241516

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-ethyl-2-pyridinyl)cyclohexyl]methoxy]-2-fluorobenzonitrile?
The IUPAC name of 4-[[4-(5-ethyl-2-pyridinyl)cyclohexyl]methoxy]-2-fluorobenzonitrile (CID 70350329) is 4-[[4-(5-ethyl-2-pyridinyl)cyclohexyl]methoxy]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[[4-(5-ethyl-2-pyridinyl)cyclohexyl]methoxy]-2-fluorobenzonitrile?
The canonical SMILES for 4-[[4-(5-ethyl-2-pyridinyl)cyclohexyl]methoxy]-2-fluorobenzonitrile is CCc1ccc(C2CCC(COc3ccc(C#N)c(F)c3)CC2)nc1.
What is the InChIKey of 4-[[4-(5-ethyl-2-pyridinyl)cyclohexyl]methoxy]-2-fluorobenzonitrile?
The InChIKey is LYWNPHBMFDQYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O/c1-2-15-5-10-21(24-13-15)17-6-3-16(4-7-17)14-25-19-9-8-18(12-23)20(22)11-19/h5,8-11,13,16-17H,2-4,6-7,14H2,1H3.
What are the key properties of 4-[[4-(5-ethyl-2-pyridinyl)cyclohexyl]methoxy]-2-fluorobenzonitrile?
4-[[4-(5-ethyl-2-pyridinyl)cyclohexyl]methoxy]-2-fluorobenzonitrile has a molecular weight of 338.43 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-ethyl-2-pyridinyl)cyclohexyl]methoxy]-2-fluorobenzonitrile is sourced from PubChem (CID 70350329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).