1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine

C10H12BrF2NO — CID 146026973

IUPAC1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine
SMILESFC1(F)CCN(Cc2cc(Br)co2)CC1
InChIInChI=1S/C10H12BrF2NO/c11-8-5-9(15-7-8)6-14-3-1-10(12,13)2-4-14/h5,7H,1-4,6H2
InChIKeyNASJZTJLJZVKKG-UHFFFAOYSA-N
MW280.11 g/mol
LogP3.27
Rot. Bonds2

About 1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine

1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine (PubChem CID 146026973) has the molecular formula C10H12BrF2NO and a molecular weight of 280.11 g/mol. Its IUPAC name is 1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine
PubChem CID146026973
Molecular FormulaC10H12BrF2NO
Molecular Weight280.11 g/mol
Exact Mass279.01
IUPAC Name1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine
SMILESFC1(F)CCN(Cc2cc(Br)co2)CC1
InChIInChI=1S/C10H12BrF2NO/c11-8-5-9(15-7-8)6-14-3-1-10(12,13)2-4-14/h5,7H,1-4,6H2
InChIKeyNASJZTJLJZVKKG-UHFFFAOYSA-N
XLogP3.27
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.11
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine?
The IUPAC name of 1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine (CID 146026973) is 1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine is FC1(F)CCN(Cc2cc(Br)co2)CC1.
What is the InChIKey of 1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine?
The InChIKey is NASJZTJLJZVKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF2NO/c11-8-5-9(15-7-8)6-14-3-1-10(12,13)2-4-14/h5,7H,1-4,6H2.
What are the key properties of 1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine?
1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine has a molecular weight of 280.11 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromofuran-2-yl)methyl]-4,4-difluoropiperidine is sourced from PubChem (CID 146026973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).