2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile

C13H14FNO2 — CID 117096352

IUPAC2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile
SMILESN#Cc1c(F)cccc1OC1CCC(O)CC1
InChIInChI=1S/C13H14FNO2/c14-12-2-1-3-13(11(12)8-15)17-10-6-4-9(16)5-7-10/h1-3,9-10,16H,4-7H2
InChIKeyYOYYMUGUMDBQPW-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.38
Rot. Bonds2

About 2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile

2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile (PubChem CID 117096352) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile
PubChem CID117096352
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile
SMILESN#Cc1c(F)cccc1OC1CCC(O)CC1
InChIInChI=1S/C13H14FNO2/c14-12-2-1-3-13(11(12)8-15)17-10-6-4-9(16)5-7-10/h1-3,9-10,16H,4-7H2
InChIKeyYOYYMUGUMDBQPW-UHFFFAOYSA-N
XLogP2.38
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentanol;2-cyclopentyloxy-6-fluorobenzonitrile;(2-cyclopentyloxy-6-fluorophenyl)methanamine;2,6-difluorobenzonitrile
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2-(difluoromethoxy)-6-fluorobenzonitrile
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2-chloro-6-piperidin-4-yloxybenzonitrile
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2-but-2-en-2-yloxy-6-fluorobenzonitrile
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2-(cyclohex-3-en-1-ylmethoxy)-6-fluorobenzonitrile
CID 66924086
4-(2-bromo-4,5-difluorophenoxy)cyclohexan-1-ol
CID 59321670
2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile
CID 69357808
2-(1,4-dioxan-2-ylmethoxy)-6-fluorobenzonitrile
CID 136542710
methyl (2S)-2-(2-cyano-3-fluorophenoxy)propanoate
CID 103337913
2-fluoro-6-(4-methylpentan-2-yloxy)benzonitrile
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2-(3-hydroxycyclohexyl)oxybenzonitrile
CID 117052783

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile?
The IUPAC name of 2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile (CID 117096352) is 2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile.
What is the SMILES notation for 2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile?
The canonical SMILES for 2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile is N#Cc1c(F)cccc1OC1CCC(O)CC1.
What is the InChIKey of 2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile?
The InChIKey is YOYYMUGUMDBQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-12-2-1-3-13(11(12)8-15)17-10-6-4-9(16)5-7-10/h1-3,9-10,16H,4-7H2.
What are the key properties of 2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile?
2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile has a molecular weight of 235.26 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(4-hydroxycyclohexyl)oxybenzonitrile is sourced from PubChem (CID 117096352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).