[[4-(4-fluorophenyl)cyclohexyl]amino] acetate

C14H18FNO2 — CID 91275833

IUPAC[[4-(4-fluorophenyl)cyclohexyl]amino] acetate
SMILESCC(=O)ONC1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO2/c1-10(17)18-16-14-8-4-12(5-9-14)11-2-6-13(15)7-3-11/h2-3,6-7,12,14,16H,4-5,8-9H2,1H3
InChIKeyADYNFVOKSYBXAW-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.92
Rot. Bonds3

About [[4-(4-fluorophenyl)cyclohexyl]amino] acetate

[[4-(4-fluorophenyl)cyclohexyl]amino] acetate (PubChem CID 91275833) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is [[4-(4-fluorophenyl)cyclohexyl]amino] acetate.

Molecular Properties

Compound Name[[4-(4-fluorophenyl)cyclohexyl]amino] acetate
PubChem CID91275833
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name[[4-(4-fluorophenyl)cyclohexyl]amino] acetate
SMILESCC(=O)ONC1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C14H18FNO2/c1-10(17)18-16-14-8-4-12(5-9-14)11-2-6-13(15)7-3-11/h2-3,6-7,12,14,16H,4-5,8-9H2,1H3
InChIKeyADYNFVOKSYBXAW-UHFFFAOYSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[4-(4-fluorophenyl)cyclohexyl]amino] acetate?
The IUPAC name of [[4-(4-fluorophenyl)cyclohexyl]amino] acetate (CID 91275833) is [[4-(4-fluorophenyl)cyclohexyl]amino] acetate.
What is the SMILES notation for [[4-(4-fluorophenyl)cyclohexyl]amino] acetate?
The canonical SMILES for [[4-(4-fluorophenyl)cyclohexyl]amino] acetate is CC(=O)ONC1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of [[4-(4-fluorophenyl)cyclohexyl]amino] acetate?
The InChIKey is ADYNFVOKSYBXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-10(17)18-16-14-8-4-12(5-9-14)11-2-6-13(15)7-3-11/h2-3,6-7,12,14,16H,4-5,8-9H2,1H3.
What are the key properties of [[4-(4-fluorophenyl)cyclohexyl]amino] acetate?
[[4-(4-fluorophenyl)cyclohexyl]amino] acetate has a molecular weight of 251.30 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(4-fluorophenyl)cyclohexyl]amino] acetate is sourced from PubChem (CID 91275833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).