1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine

C11H13BrF3NO — CID 146026972

IUPAC1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCN(Cc2occc2Br)CC1
InChIInChI=1S/C11H13BrF3NO/c12-9-3-6-17-10(9)7-16-4-1-8(2-5-16)11(13,14)15/h3,6,8H,1-2,4-5,7H2
InChIKeyLKJUWQFNEAZHRA-UHFFFAOYSA-N
MW312.13 g/mol
LogP3.82
Rot. Bonds2

About 1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine

1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine (PubChem CID 146026972) has the molecular formula C11H13BrF3NO and a molecular weight of 312.13 g/mol. Its IUPAC name is 1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine
PubChem CID146026972
Molecular FormulaC11H13BrF3NO
Molecular Weight312.13 g/mol
Exact Mass311.01
IUPAC Name1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)C1CCN(Cc2occc2Br)CC1
InChIInChI=1S/C11H13BrF3NO/c12-9-3-6-17-10(9)7-16-4-1-8(2-5-16)11(13,14)15/h3,6,8H,1-2,4-5,7H2
InChIKeyLKJUWQFNEAZHRA-UHFFFAOYSA-N
XLogP3.82
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.13
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromofuran-2-yl)methyl]piperidine
CID 130667893
1-[(2-bromo-6-chlorophenyl)methyl]-4-(trifluoromethyl)piperidine
CID 172647988
trimethyl-[4-[[4-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]silane
CID 103438463
1-[[3-bromo-5-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)piperidine
CID 172647999
N-methyl-1-[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557064
5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 163343642
2-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 131703770
N-[[5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 107557061
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 79764598
1-[(3-methylfuran-2-yl)methyl]piperidin-4-ol
CID 115880131
2-[1-[(3-bromofuran-2-yl)methyl]piperidin-2-yl]ethanamine
CID 106885961
2,6-dichloro-3-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyridine
CID 106993824

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine (CID 146026972) is 1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine is FC(F)(F)C1CCN(Cc2occc2Br)CC1.
What is the InChIKey of 1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine?
The InChIKey is LKJUWQFNEAZHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrF3NO/c12-9-3-6-17-10(9)7-16-4-1-8(2-5-16)11(13,14)15/h3,6,8H,1-2,4-5,7H2.
What are the key properties of 1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine?
1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine has a molecular weight of 312.13 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromofuran-2-yl)methyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 146026972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).