[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone

C14H11Cl2F6NO — CID 125129727

IUPAC[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C14H11Cl2F6NO/c15-9-2-1-3-10(16)11(9)12(24)23-5-7(13(17,18)19)4-8(6-23)14(20,21)22/h1-3,7-8H,4-6H2/t7-,8-/m1/s1
InChIKeyADRNKNURQCSXOY-HTQZYQBOSA-N
MW394.14 g/mol
LogP5.20
Rot. Bonds1

About [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone

[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone (PubChem CID 125129727) has the molecular formula C14H11Cl2F6NO and a molecular weight of 394.14 g/mol. Its IUPAC name is [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone
PubChem CID125129727
Molecular FormulaC14H11Cl2F6NO
Molecular Weight394.14 g/mol
Exact Mass393.01
IUPAC Name[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone
SMILESO=C(c1c(Cl)cccc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C14H11Cl2F6NO/c15-9-2-1-3-10(16)11(9)12(24)23-5-7(13(17,18)19)4-8(6-23)14(20,21)22/h1-3,7-8H,4-6H2/t7-,8-/m1/s1
InChIKeyADRNKNURQCSXOY-HTQZYQBOSA-N
XLogP5.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.14
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone?
The IUPAC name of [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone (CID 125129727) is [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone?
The canonical SMILES for [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone is O=C(c1c(Cl)cccc1Cl)N1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1.
What is the InChIKey of [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone?
The InChIKey is ADRNKNURQCSXOY-HTQZYQBOSA-N. The full InChI is InChI=1S/C14H11Cl2F6NO/c15-9-2-1-3-10(16)11(9)12(24)23-5-7(13(17,18)19)4-8(6-23)14(20,21)22/h1-3,7-8H,4-6H2/t7-,8-/m1/s1.
What are the key properties of [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone?
[(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone has a molecular weight of 394.14 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5R)-3,5-bis(trifluoromethyl)piperidin-1-yl]-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 125129727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).