2-[(4-bromothiophen-3-yl)-fluoromethyl]pyrrolidine

C9H11BrFNS — CID 106640451

IUPAC2-[(4-bromothiophen-3-yl)-fluoromethyl]pyrrolidine
SMILESFC(c1cscc1Br)C1CCCN1
InChIInChI=1S/C9H11BrFNS/c10-7-5-13-4-6(7)9(11)8-2-1-3-12-8/h4-5,8-9,12H,1-3H2
InChIKeySQLGBAZYKSRROZ-UHFFFAOYSA-N
MW264.16 g/mol
LogP3.27
Rot. Bonds2

About 2-[(4-bromothiophen-3-yl)-fluoromethyl]pyrrolidine

2-[(4-bromothiophen-3-yl)-fluoromethyl]pyrrolidine (PubChem CID 106640451) has the molecular formula C9H11BrFNS and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-[(4-bromothiophen-3-yl)-fluoromethyl]pyrrolidine.

Molecular Properties

Compound Name2-[(4-bromothiophen-3-yl)-fluoromethyl]pyrrolidine
PubChem CID106640451
Molecular FormulaC9H11BrFNS
Molecular Weight264.16 g/mol
Exact Mass262.98
IUPAC Name2-[(4-bromothiophen-3-yl)-fluoromethyl]pyrrolidine
SMILESFC(c1cscc1Br)C1CCCN1
InChIInChI=1S/C9H11BrFNS/c10-7-5-13-4-6(7)9(11)8-2-1-3-12-8/h4-5,8-9,12H,1-3H2
InChIKeySQLGBAZYKSRROZ-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-3-yl)-fluoromethyl]pyrrolidine?
The IUPAC name of 2-[(4-bromothiophen-3-yl)-fluoromethyl]pyrrolidine (CID 106640451) is 2-[(4-bromothiophen-3-yl)-fluoromethyl]pyrrolidine.
What is the SMILES notation for 2-[(4-bromothiophen-3-yl)-fluoromethyl]pyrrolidine?
The canonical SMILES for 2-[(4-bromothiophen-3-yl)-fluoromethyl]pyrrolidine is FC(c1cscc1Br)C1CCCN1.
What is the InChIKey of 2-[(4-bromothiophen-3-yl)-fluoromethyl]pyrrolidine?
The InChIKey is SQLGBAZYKSRROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNS/c10-7-5-13-4-6(7)9(11)8-2-1-3-12-8/h4-5,8-9,12H,1-3H2.
What are the key properties of 2-[(4-bromothiophen-3-yl)-fluoromethyl]pyrrolidine?
2-[(4-bromothiophen-3-yl)-fluoromethyl]pyrrolidine has a molecular weight of 264.16 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-3-yl)-fluoromethyl]pyrrolidine is sourced from PubChem (CID 106640451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).