2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile

C17H22FNO — CID 69357808

IUPAC2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCCCCC1CCCCC1
InChIInChI=1S/C17H22FNO/c18-16-10-6-11-17(15(16)13-19)20-12-5-4-9-14-7-2-1-3-8-14/h6,10-11,14H,1-5,7-9,12H2
InChIKeyHZPCKNFDLGHEAS-UHFFFAOYSA-N
MW275.37 g/mol
LogP4.83
Rot. Bonds6

About 2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile

2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile (PubChem CID 69357808) has the molecular formula C17H22FNO and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile
PubChem CID69357808
Molecular FormulaC17H22FNO
Molecular Weight275.37 g/mol
Exact Mass275.17
IUPAC Name2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCCCCC1CCCCC1
InChIInChI=1S/C17H22FNO/c18-16-10-6-11-17(15(16)13-19)20-12-5-4-9-14-7-2-1-3-8-14/h6,10-11,14H,1-5,7-9,12H2
InChIKeyHZPCKNFDLGHEAS-UHFFFAOYSA-N
XLogP4.83
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-(4-methoxybutoxy)benzonitrile
CID 115777027
2-chloro-6-(2-cyclohexylethoxy)benzonitrile
CID 114191198
2-fluoro-6-[2-(2-oxocyclopentyl)ethoxy]benzonitrile
CID 79565850
1-(6-cyclopropylhexoxy)-2-fluorobenzene
CID 91224434
2-(3,3-dimethylbutoxy)-6-fluorobenzonitrile
CID 79513134
2-chloro-6-(2-cyclobutylethoxy)benzonitrile
CID 106201553
2-[2-(2,6-difluorophenyl)ethoxy]-6-fluorobenzonitrile
CID 69356263
2-(2-cyclobutylethoxy)-6-methylsulfanylbenzonitrile
CID 114157448
2-but-3-ynoxy-6-fluorobenzonitrile
CID 63656850
2-fluoro-6-[2-(trifluoromethylsulfanyl)ethoxy]benzonitrile
CID 116628106
2-fluoro-6-(piperidin-1-ylmethoxy)benzonitrile
CID 67301728
2-(cyclohex-3-en-1-ylmethoxy)-6-fluorobenzonitrile
CID 66924086

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile?
The IUPAC name of 2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile (CID 69357808) is 2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile.
What is the SMILES notation for 2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile?
The canonical SMILES for 2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile is N#Cc1c(F)cccc1OCCCCC1CCCCC1.
What is the InChIKey of 2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile?
The InChIKey is HZPCKNFDLGHEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO/c18-16-10-6-11-17(15(16)13-19)20-12-5-4-9-14-7-2-1-3-8-14/h6,10-11,14H,1-5,7-9,12H2.
What are the key properties of 2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile?
2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile has a molecular weight of 275.37 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile is sourced from PubChem (CID 69357808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).