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

C10H14FNS — CID 83819154

IUPAC3-fluoro-3-[(5-methylthiophen-2-yl)methyl]pyrrolidine
SMILESCc1ccc(CC2(F)CCNC2)s1
InChIInChI=1S/C10H14FNS/c1-8-2-3-9(13-8)6-10(11)4-5-12-7-10/h2-3,12H,4-7H2,1H3
InChIKeyKUSAIOTZQMKIHL-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.30
Rot. Bonds2

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

3-fluoro-3-[(5-methylthiophen-2-yl)methyl]pyrrolidine (PubChem CID 83819154) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-fluoro-3-[(5-methylthiophen-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-[(5-methylthiophen-2-yl)methyl]pyrrolidine
PubChem CID83819154
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name3-fluoro-3-[(5-methylthiophen-2-yl)methyl]pyrrolidine
SMILESCc1ccc(CC2(F)CCNC2)s1
InChIInChI=1S/C10H14FNS/c1-8-2-3-9(13-8)6-10(11)4-5-12-7-10/h2-3,12H,4-7H2,1H3
InChIKeyKUSAIOTZQMKIHL-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(5-methylthiophen-2-yl)methyl]pyrrolidine?
The IUPAC name of 3-fluoro-3-[(5-methylthiophen-2-yl)methyl]pyrrolidine (CID 83819154) is 3-fluoro-3-[(5-methylthiophen-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 3-fluoro-3-[(5-methylthiophen-2-yl)methyl]pyrrolidine?
The canonical SMILES for 3-fluoro-3-[(5-methylthiophen-2-yl)methyl]pyrrolidine is Cc1ccc(CC2(F)CCNC2)s1.
What is the InChIKey of 3-fluoro-3-[(5-methylthiophen-2-yl)methyl]pyrrolidine?
The InChIKey is KUSAIOTZQMKIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/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-methylthiophen-2-yl)methyl]pyrrolidine?
3-fluoro-3-[(5-methylthiophen-2-yl)methyl]pyrrolidine has a molecular weight of 199.29 g/mol, XLogP of 2.30, 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-methylthiophen-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 83819154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).