2-(1-fluoroethyl)-3-hydroxy-5-(4-methylcyclohexyl)hexanenitrile

C15H26FNO — CID 126518115

IUPAC2-(1-fluoroethyl)-3-hydroxy-5-(4-methylcyclohexyl)hexanenitrile
SMILESCC1CCC(C(C)CC(O)C(C#N)C(C)F)CC1
InChIInChI=1S/C15H26FNO/c1-10-4-6-13(7-5-10)11(2)8-15(18)14(9-17)12(3)16/h10-15,18H,4-8H2,1-3H3
InChIKeyLQVCRZGCYKMJIM-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.70
Rot. Bonds5

About 2-(1-fluoroethyl)-3-hydroxy-5-(4-methylcyclohexyl)hexanenitrile

2-(1-fluoroethyl)-3-hydroxy-5-(4-methylcyclohexyl)hexanenitrile (PubChem CID 126518115) has the molecular formula C15H26FNO and a molecular weight of 255.38 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-3-hydroxy-5-(4-methylcyclohexyl)hexanenitrile.

Molecular Properties

Compound Name2-(1-fluoroethyl)-3-hydroxy-5-(4-methylcyclohexyl)hexanenitrile
PubChem CID126518115
Molecular FormulaC15H26FNO
Molecular Weight255.38 g/mol
Exact Mass255.20
IUPAC Name2-(1-fluoroethyl)-3-hydroxy-5-(4-methylcyclohexyl)hexanenitrile
SMILESCC1CCC(C(C)CC(O)C(C#N)C(C)F)CC1
InChIInChI=1S/C15H26FNO/c1-10-4-6-13(7-5-10)11(2)8-15(18)14(9-17)12(3)16/h10-15,18H,4-8H2,1-3H3
InChIKeyLQVCRZGCYKMJIM-UHFFFAOYSA-N
XLogP3.70
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoroethyl)-3-hydroxy-5-(4-methylcyclohexyl)hexanenitrile?
The IUPAC name of 2-(1-fluoroethyl)-3-hydroxy-5-(4-methylcyclohexyl)hexanenitrile (CID 126518115) is 2-(1-fluoroethyl)-3-hydroxy-5-(4-methylcyclohexyl)hexanenitrile.
What is the SMILES notation for 2-(1-fluoroethyl)-3-hydroxy-5-(4-methylcyclohexyl)hexanenitrile?
The canonical SMILES for 2-(1-fluoroethyl)-3-hydroxy-5-(4-methylcyclohexyl)hexanenitrile is CC1CCC(C(C)CC(O)C(C#N)C(C)F)CC1.
What is the InChIKey of 2-(1-fluoroethyl)-3-hydroxy-5-(4-methylcyclohexyl)hexanenitrile?
The InChIKey is LQVCRZGCYKMJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO/c1-10-4-6-13(7-5-10)11(2)8-15(18)14(9-17)12(3)16/h10-15,18H,4-8H2,1-3H3.
What are the key properties of 2-(1-fluoroethyl)-3-hydroxy-5-(4-methylcyclohexyl)hexanenitrile?
2-(1-fluoroethyl)-3-hydroxy-5-(4-methylcyclohexyl)hexanenitrile has a molecular weight of 255.38 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-3-hydroxy-5-(4-methylcyclohexyl)hexanenitrile is sourced from PubChem (CID 126518115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).