[4-(4-fluorophenyl)cyclohexyl] but-2-enoate

C16H19FO2 — CID 54264877

IUPAC[4-(4-fluorophenyl)cyclohexyl] but-2-enoate
SMILESCC=CC(=O)OC1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FO2/c1-2-3-16(18)19-15-10-6-13(7-11-15)12-4-8-14(17)9-5-12/h2-5,8-9,13,15H,6-7,10-11H2,1H3
InChIKeyRGBIWKRQUOZSPQ-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.97
Rot. Bonds3

About [4-(4-fluorophenyl)cyclohexyl] but-2-enoate

[4-(4-fluorophenyl)cyclohexyl] but-2-enoate (PubChem CID 54264877) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is [4-(4-fluorophenyl)cyclohexyl] but-2-enoate.

Molecular Properties

Compound Name[4-(4-fluorophenyl)cyclohexyl] but-2-enoate
PubChem CID54264877
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name[4-(4-fluorophenyl)cyclohexyl] but-2-enoate
SMILESCC=CC(=O)OC1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C16H19FO2/c1-2-3-16(18)19-15-10-6-13(7-11-15)12-4-8-14(17)9-5-12/h2-5,8-9,13,15H,6-7,10-11H2,1H3
InChIKeyRGBIWKRQUOZSPQ-UHFFFAOYSA-N
XLogP3.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)cyclohexyl] but-2-enoate?
The IUPAC name of [4-(4-fluorophenyl)cyclohexyl] but-2-enoate (CID 54264877) is [4-(4-fluorophenyl)cyclohexyl] but-2-enoate.
What is the SMILES notation for [4-(4-fluorophenyl)cyclohexyl] but-2-enoate?
The canonical SMILES for [4-(4-fluorophenyl)cyclohexyl] but-2-enoate is CC=CC(=O)OC1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of [4-(4-fluorophenyl)cyclohexyl] but-2-enoate?
The InChIKey is RGBIWKRQUOZSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO2/c1-2-3-16(18)19-15-10-6-13(7-11-15)12-4-8-14(17)9-5-12/h2-5,8-9,13,15H,6-7,10-11H2,1H3.
What are the key properties of [4-(4-fluorophenyl)cyclohexyl] but-2-enoate?
[4-(4-fluorophenyl)cyclohexyl] but-2-enoate has a molecular weight of 262.32 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)cyclohexyl] but-2-enoate is sourced from PubChem (CID 54264877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).