3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine

C8H9BrFNS — CID 112563459

IUPAC3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine
SMILESFC1(Cc2ccc(Br)s2)CNC1
InChIInChI=1S/C8H9BrFNS/c9-7-2-1-6(12-7)3-8(10)4-11-5-8/h1-2,11H,3-5H2
InChIKeyJZFKBOMULNOPNS-UHFFFAOYSA-N
MW250.14 g/mol
LogP2.36
Rot. Bonds2

About 3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine

3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine (PubChem CID 112563459) has the molecular formula C8H9BrFNS and a molecular weight of 250.14 g/mol. Its IUPAC name is 3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine.

Molecular Properties

Compound Name3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine
PubChem CID112563459
Molecular FormulaC8H9BrFNS
Molecular Weight250.14 g/mol
Exact Mass248.96
IUPAC Name3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine
SMILESFC1(Cc2ccc(Br)s2)CNC1
InChIInChI=1S/C8H9BrFNS/c9-7-2-1-6(12-7)3-8(10)4-11-5-8/h1-2,11H,3-5H2
InChIKeyJZFKBOMULNOPNS-UHFFFAOYSA-N
XLogP2.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-ethylthiophen-2-yl)methyl]-3-fluoroazetidine
CID 112563362
3-(4-bromophenyl)-3-[(5-bromothiophen-2-yl)methyl]azetidine
CID 79460617
3-[(5-bromothiophen-2-yl)methyl]-3-(4-methylphenyl)azetidine
CID 79452497
4-[(5-bromothiophen-2-yl)methyl]-3-methylpiperidin-4-ol
CID 114501970
1-[(5-bromothiophen-2-yl)methyl]cyclopropane-1-carboxylic acid
CID 66023531
[1-[(5-bromothiophen-2-yl)methyl]cyclobutyl]methanamine
CID 65194183
4-[(5-bromothiophen-2-yl)methyl]piperidine
CID 82049677
1-[(5-bromothiophen-2-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 64760587
4-[(5-bromothiophen-2-yl)methyl]-1-propylpiperidin-4-ol
CID 65146428
2-bromo-5-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]thiophene
CID 66048702
2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine
CID 66468528
1-[(5-bromothiophen-2-yl)methyl]-4,4-dimethylcycloheptan-1-ol
CID 65151707

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine?
The IUPAC name of 3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine (CID 112563459) is 3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine.
What is the SMILES notation for 3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine?
The canonical SMILES for 3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine is FC1(Cc2ccc(Br)s2)CNC1.
What is the InChIKey of 3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine?
The InChIKey is JZFKBOMULNOPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFNS/c9-7-2-1-6(12-7)3-8(10)4-11-5-8/h1-2,11H,3-5H2.
What are the key properties of 3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine?
3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine has a molecular weight of 250.14 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromothiophen-2-yl)methyl]-3-fluoroazetidine is sourced from PubChem (CID 112563459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).