3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine

C10H14FNO — CID 83817225

IUPAC3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine
SMILESCc1ccc(CC2(F)CCNC2)o1
InChIInChI=1S/C10H14FNO/c1-8-2-3-9(13-8)6-10(11)4-5-12-7-10/h2-3,12H,4-7H2,1H3
InChIKeyHWOINAOCQOXXQC-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.83
Rot. Bonds2

About 3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine

3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine (PubChem CID 83817225) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine
PubChem CID83817225
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine
SMILESCc1ccc(CC2(F)CCNC2)o1
InChIInChI=1S/C10H14FNO/c1-8-2-3-9(13-8)6-10(11)4-5-12-7-10/h2-3,12H,4-7H2,1H3
InChIKeyHWOINAOCQOXXQC-UHFFFAOYSA-N
XLogP1.83
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine?
The IUPAC name of 3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine (CID 83817225) is 3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine?
The canonical SMILES for 3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine is Cc1ccc(CC2(F)CCNC2)o1.
What is the InChIKey of 3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine?
The InChIKey is HWOINAOCQOXXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-8-2-3-9(13-8)6-10(11)4-5-12-7-10/h2-3,12H,4-7H2,1H3.
What are the key properties of 3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine?
3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine has a molecular weight of 183.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(5-methylfuran-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 83817225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).