pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone

C13H14F3NO — CID 105081172

IUPACpyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(c1cccnc1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H14F3NO/c14-13(15,16)11-6-2-1-5-10(11)12(18)9-4-3-7-17-8-9/h3-4,7-8,10-11H,1-2,5-6H2
InChIKeyFJOOSVPBLXQTQP-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.63
Rot. Bonds2

About pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone

pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 105081172) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Namepyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID105081172
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Namepyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(c1cccnc1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H14F3NO/c14-13(15,16)11-6-2-1-5-10(11)12(18)9-4-3-7-17-8-9/h3-4,7-8,10-11H,1-2,5-6H2
InChIKeyFJOOSVPBLXQTQP-UHFFFAOYSA-N
XLogP3.63
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone (CID 105081172) is pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone is O=C(c1cccnc1)C1CCCCC1C(F)(F)F.
What is the InChIKey of pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is FJOOSVPBLXQTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c14-13(15,16)11-6-2-1-5-10(11)12(18)9-4-3-7-17-8-9/h3-4,7-8,10-11H,1-2,5-6H2.
What are the key properties of pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone?
pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 257.25 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 105081172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).