2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile

C15H18FNO2 — CID 107882683

IUPAC2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile
SMILESN#Cc1cc(COC2CCC(CO)CC2)ccc1F
InChIInChI=1S/C15H18FNO2/c16-15-6-3-12(7-13(15)8-17)10-19-14-4-1-11(9-18)2-5-14/h3,6-7,11,14,18H,1-2,4-5,9-10H2
InChIKeyDAMUOSSNFCHMDH-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.77
Rot. Bonds4

About 2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile

2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile (PubChem CID 107882683) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile
PubChem CID107882683
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile
SMILESN#Cc1cc(COC2CCC(CO)CC2)ccc1F
InChIInChI=1S/C15H18FNO2/c16-15-6-3-12(7-13(15)8-17)10-19-14-4-1-11(9-18)2-5-14/h3,6-7,11,14,18H,1-2,4-5,9-10H2
InChIKeyDAMUOSSNFCHMDH-UHFFFAOYSA-N
XLogP2.77
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile?
The IUPAC name of 2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile (CID 107882683) is 2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile.
What is the SMILES notation for 2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile?
The canonical SMILES for 2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile is N#Cc1cc(COC2CCC(CO)CC2)ccc1F.
What is the InChIKey of 2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile?
The InChIKey is DAMUOSSNFCHMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c16-15-6-3-12(7-13(15)8-17)10-19-14-4-1-11(9-18)2-5-14/h3,6-7,11,14,18H,1-2,4-5,9-10H2.
What are the key properties of 2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile?
2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile has a molecular weight of 263.31 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[4-(hydroxymethyl)cyclohexyl]oxymethyl]benzonitrile is sourced from PubChem (CID 107882683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).