(6-chloro-2H-chromen-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

C16H15ClF3NO2 — CID 32762161

IUPAC(6-chloro-2H-chromen-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C16H15ClF3NO2/c17-13-3-4-14-10(7-13)6-11(9-23-14)15(22)21-5-1-2-12(8-21)16(18,19)20/h3-4,6-7,12H,1-2,5,8-9H2/t12-/m1/s1
InChIKeyAOZJSXPUQQUTEQ-GFCCVEGCSA-N
MW345.75 g/mol
LogP3.92
Rot. Bonds1

About (6-chloro-2H-chromen-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

(6-chloro-2H-chromen-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 32762161) has the molecular formula C16H15ClF3NO2 and a molecular weight of 345.75 g/mol. Its IUPAC name is (6-chloro-2H-chromen-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2H-chromen-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID32762161
Molecular FormulaC16H15ClF3NO2
Molecular Weight345.75 g/mol
Exact Mass345.07
IUPAC Name(6-chloro-2H-chromen-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C16H15ClF3NO2/c17-13-3-4-14-10(7-13)6-11(9-23-14)15(22)21-5-1-2-12(8-21)16(18,19)20/h3-4,6-7,12H,1-2,5,8-9H2/t12-/m1/s1
InChIKeyAOZJSXPUQQUTEQ-GFCCVEGCSA-N
XLogP3.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2H-chromen-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (6-chloro-2H-chromen-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 32762161) is (6-chloro-2H-chromen-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2H-chromen-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (6-chloro-2H-chromen-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(C1=Cc2cc(Cl)ccc2OC1)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (6-chloro-2H-chromen-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is AOZJSXPUQQUTEQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H15ClF3NO2/c17-13-3-4-14-10(7-13)6-11(9-23-14)15(22)21-5-1-2-12(8-21)16(18,19)20/h3-4,6-7,12H,1-2,5,8-9H2/t12-/m1/s1.
What are the key properties of (6-chloro-2H-chromen-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
(6-chloro-2H-chromen-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 345.75 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2H-chromen-3-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 32762161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).