(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

C13H12Cl2F3NO — CID 7064237

IUPAC(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C13H12Cl2F3NO/c14-9-3-4-10(11(15)6-9)12(20)19-5-1-2-8(7-19)13(16,17)18/h3-4,6,8H,1-2,5,7H2/t8-/m1/s1
InChIKeyYXECZWSOBWZBCL-MRVPVSSYSA-N
MW326.15 g/mol
LogP4.41
Rot. Bonds1

About (2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone

(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 7064237) has the molecular formula C13H12Cl2F3NO and a molecular weight of 326.15 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID7064237
Molecular FormulaC13H12Cl2F3NO
Molecular Weight326.15 g/mol
Exact Mass325.02
IUPAC Name(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C13H12Cl2F3NO/c14-9-3-4-10(11(15)6-9)12(20)19-5-1-2-8(7-19)13(16,17)18/h3-4,6,8H,1-2,5,7H2/t8-/m1/s1
InChIKeyYXECZWSOBWZBCL-MRVPVSSYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.15
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-chloro-2-hydroxyphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 31640799
(2-chloro-5-methylsulfanylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 51922925
(5-amino-2-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61101822
(2,4-dichlorophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 55209548
(2-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 63110249
(2-chloro-5-piperidin-1-ylsulfonylphenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 31640784
[3-(4-chlorophenyl)azepan-1-yl]-(2,4-dichlorophenyl)methanone
CID 121146499
methyl (3S)-1-(2,4-dichlorobenzoyl)piperidine-3-carboxylate
CID 78919345
(3-bromo-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 103841477
(3-amino-4-chlorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 60918239
(2,4-dichlorophenyl)-(3-phenylazepan-1-yl)methanone
CID 121130881
(3-amino-4-fluorophenyl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 61102754

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone (CID 7064237) is (2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1Cl)N1CCC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is YXECZWSOBWZBCL-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12Cl2F3NO/c14-9-3-4-10(11(15)6-9)12(20)19-5-1-2-8(7-19)13(16,17)18/h3-4,6,8H,1-2,5,7H2/t8-/m1/s1.
What are the key properties of (2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone?
(2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 326.15 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 7064237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).