1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine

C13H14BrF4N — CID 165413623

IUPAC1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
SMILESFc1cccc(Br)c1CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H14BrF4N/c14-11-4-1-5-12(15)10(11)8-19-6-2-3-9(7-19)13(16,17)18/h1,4-5,9H,2-3,6-8H2
InChIKeyRUKPHSXSRBNQOQ-UHFFFAOYSA-N
MW340.16 g/mol
LogP4.36
Rot. Bonds2

About 1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine

1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine (PubChem CID 165413623) has the molecular formula C13H14BrF4N and a molecular weight of 340.16 g/mol. Its IUPAC name is 1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
PubChem CID165413623
Molecular FormulaC13H14BrF4N
Molecular Weight340.16 g/mol
Exact Mass339.02
IUPAC Name1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
SMILESFc1cccc(Br)c1CN1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H14BrF4N/c14-11-4-1-5-12(15)10(11)8-19-6-2-3-9(7-19)13(16,17)18/h1,4-5,9H,2-3,6-8H2
InChIKeyRUKPHSXSRBNQOQ-UHFFFAOYSA-N
XLogP4.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-bromo-6-fluorophenyl)methyl]pyrrolidine
CID 70699630
1-[(2-bromo-6-phenylmethoxyphenyl)methyl]-3-(trifluoromethyl)piperidine
CID 171934410
3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 71901278
(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 97313441
(3R)-1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine
CID 51970058
1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine
CID 172647988
2-fluoro-3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]aniline
CID 107347469
N-methyl-6-[[3-(trifluoromethyl)piperidin-1-yl]methyl]pyridin-2-amine
CID 79233400
[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 129380640
(3aS,6aR)-5-[(2-bromo-6-fluorophenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 120846044
6-bromo-1-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]naphthalen-2-ol
CID 27081266
1-[(2-chloro-6-fluorophenyl)methyl]piperidin-3-ol
CID 24905047

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine?
The IUPAC name of 1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine (CID 165413623) is 1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine is Fc1cccc(Br)c1CN1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine?
The InChIKey is RUKPHSXSRBNQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrF4N/c14-11-4-1-5-12(15)10(11)8-19-6-2-3-9(7-19)13(16,17)18/h1,4-5,9H,2-3,6-8H2.
What are the key properties of 1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine?
1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine has a molecular weight of 340.16 g/mol, XLogP of 4.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-6-fluorophenyl)methyl]-3-(trifluoromethyl)piperidine is sourced from PubChem (CID 165413623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).