1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine

C18H25BrF3NO — CID 66554225

IUPAC1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1OC(CC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C18H25BrF3NO/c1-16(2)10-5-11-17(3,4)23(16)24-15(12-18(20,21)22)13-6-8-14(19)9-7-13/h6-9,15H,5,10-12H2,1-4H3
InChIKeyOOMKFDGFVOVWHB-UHFFFAOYSA-N
MW408.30 g/mol
LogP6.42
Rot. Bonds4

About 1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine

1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine (PubChem CID 66554225) has the molecular formula C18H25BrF3NO and a molecular weight of 408.30 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine
PubChem CID66554225
Molecular FormulaC18H25BrF3NO
Molecular Weight408.30 g/mol
Exact Mass407.11
IUPAC Name1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine
SMILESCC1(C)CCCC(C)(C)N1OC(CC(F)(F)F)c1ccc(Br)cc1
InChIInChI=1S/C18H25BrF3NO/c1-16(2)10-5-11-17(3,4)23(16)24-15(12-18(20,21)22)13-6-8-14(19)9-7-13/h6-9,15H,5,10-12H2,1-4H3
InChIKeyOOMKFDGFVOVWHB-UHFFFAOYSA-N
XLogP6.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.30
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine (CID 66554225) is 1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine is CC1(C)CCCC(C)(C)N1OC(CC(F)(F)F)c1ccc(Br)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine?
The InChIKey is OOMKFDGFVOVWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25BrF3NO/c1-16(2)10-5-11-17(3,4)23(16)24-15(12-18(20,21)22)13-6-8-14(19)9-7-13/h6-9,15H,5,10-12H2,1-4H3.
What are the key properties of 1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine?
1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine has a molecular weight of 408.30 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)-3,3,3-trifluoropropoxy]-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 66554225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).