(6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate

C15H20FNO2 — CID 19765611

IUPAC(6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate
SMILESCCCC1CCC(C(=O)Oc2ccc(F)nc2)CC1
InChIInChI=1S/C15H20FNO2/c1-2-3-11-4-6-12(7-5-11)15(18)19-13-8-9-14(16)17-10-13/h8-12H,2-7H2,1H3
InChIKeyVUWOJQKFVKCDEU-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.73
Rot. Bonds4

About (6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate

(6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate (PubChem CID 19765611) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is (6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name(6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate
PubChem CID19765611
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name(6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate
SMILESCCCC1CCC(C(=O)Oc2ccc(F)nc2)CC1
InChIInChI=1S/C15H20FNO2/c1-2-3-11-4-6-12(7-5-11)15(18)19-13-8-9-14(16)17-10-13/h8-12H,2-7H2,1H3
InChIKeyVUWOJQKFVKCDEU-UHFFFAOYSA-N
XLogP3.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate
CID 19765795
(4-fluorophenyl) 4-[2-(4-propylcyclohexyl)ethyl]cyclohexane-1-carboxylate
CID 170842223
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-propylcyclohexane-1-carboxylate
CID 170898859
[4-(difluoromethoxy)phenyl] 4-propylcyclohexane-1-carboxylate
CID 19436452
(4-fluorophenyl) 4-(4-propylcyclohexanecarbonyl)oxybenzoate
CID 22131611
[6-(trifluoromethyl)-3-pyridinyl] 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate
CID 19765728
pentakis((3-fluoro-4-sulfanylphenyl) 4-propylcyclohexane-1-carboxylate);pentahydrofluoride
CID 173376037
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
CID 3093754
(5,6-difluoronaphthalen-2-yl) 4-propylcyclohexane-1-carboxylate
CID 139854239
(4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 23335039
[4-[3-(4-heptylcyclohexyl)propoxy]phenyl] 4-propylcyclohexane-1-carboxylate
CID 54472341
[4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate
CID 70598371

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate?
The IUPAC name of (6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate (CID 19765611) is (6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate.
What is the SMILES notation for (6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate?
The canonical SMILES for (6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate is CCCC1CCC(C(=O)Oc2ccc(F)nc2)CC1.
What is the InChIKey of (6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate?
The InChIKey is VUWOJQKFVKCDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-3-11-4-6-12(7-5-11)15(18)19-13-8-9-14(16)17-10-13/h8-12H,2-7H2,1H3.
What are the key properties of (6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate?
(6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate is sourced from PubChem (CID 19765611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).