[6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate

C16H20F3NO2 — CID 19765795

IUPAC[6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate
SMILESCCCC1CCC(C(=O)Oc2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C16H20F3NO2/c1-2-3-11-4-6-12(7-5-11)15(21)22-13-8-9-14(20-10-13)16(17,18)19/h8-12H,2-7H2,1H3
InChIKeyYWOHQSZEFFDRAC-UHFFFAOYSA-N
MW315.33 g/mol
LogP4.61
Rot. Bonds4

About [6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate

[6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate (PubChem CID 19765795) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is [6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name[6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate
PubChem CID19765795
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name[6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate
SMILESCCCC1CCC(C(=O)Oc2ccc(C(F)(F)F)nc2)CC1
InChIInChI=1S/C16H20F3NO2/c1-2-3-11-4-6-12(7-5-11)15(21)22-13-8-9-14(20-10-13)16(17,18)19/h8-12H,2-7H2,1H3
InChIKeyYWOHQSZEFFDRAC-UHFFFAOYSA-N
XLogP4.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-(trifluoromethyl)-3-pyridinyl] 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate
CID 19765728
(6-fluoro-3-pyridinyl) 4-propylcyclohexane-1-carboxylate
CID 19765611
(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
bis[6-(trifluoromethyl)-3-pyridinyl] 4-butylcyclohexane-1,1-dicarboxylate
CID 57141422
pentakis((3-fluoro-4-sulfanylphenyl) 4-propylcyclohexane-1-carboxylate);pentahydrofluoride
CID 173376037
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
CID 3093754
(4-acetyloxyphenyl) 4-(4-propylcyclohexyl)cyclohexane-1-carboxylate
CID 23335039
[4-[3-(4-heptylcyclohexyl)propoxy]phenyl] 4-propylcyclohexane-1-carboxylate
CID 54472341
(4-fluorophenyl) 4-(4-propylcyclohexanecarbonyl)oxybenzoate
CID 22131611
[4-(4-propylcyclohexyl)phenyl] 4-ethylcyclohexane-1-carboxylate
CID 70598371

Frequently Asked Questions

What is the IUPAC name of [6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate?
The IUPAC name of [6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate (CID 19765795) is [6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate.
What is the SMILES notation for [6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate?
The canonical SMILES for [6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate is CCCC1CCC(C(=O)Oc2ccc(C(F)(F)F)nc2)CC1.
What is the InChIKey of [6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate?
The InChIKey is YWOHQSZEFFDRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-2-3-11-4-6-12(7-5-11)15(21)22-13-8-9-14(20-10-13)16(17,18)19/h8-12H,2-7H2,1H3.
What are the key properties of [6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate?
[6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate has a molecular weight of 315.33 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate is sourced from PubChem (CID 19765795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).