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

C10H14FNS — CID 106640377

IUPAC2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
SMILESCc1ccsc1C(F)C1CCCN1
InChIInChI=1S/C10H14FNS/c1-7-4-6-13-10(7)9(11)8-3-2-5-12-8/h4,6,8-9,12H,2-3,5H2,1H3
InChIKeyFGJFGMAVCIXJKB-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.82
Rot. Bonds2

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

2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine (PubChem CID 106640377) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
PubChem CID106640377
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
SMILESCc1ccsc1C(F)C1CCCN1
InChIInChI=1S/C10H14FNS/c1-7-4-6-13-10(7)9(11)8-3-2-5-12-8/h4,6,8-9,12H,2-3,5H2,1H3
InChIKeyFGJFGMAVCIXJKB-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[fluoro-(5-methylthiophen-3-yl)methyl]piperidine
CID 106635079
3-[1-(3-methylthiophen-2-yl)ethyl]pyrrolidine
CID 112715433
2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
CID 116839038
N-methyl-1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116951777
2-[2-(3-bromothiophen-2-yl)-1-fluoroethyl]piperidine
CID 106635056
N,N-dimethyl-1-(3-methylthiophen-2-yl)-1-piperidin-3-ylmethanamine
CID 116906601
2-[fluoro-(4-methoxy-2-methylphenyl)methyl]piperidine
CID 106635068
1-(3-methylthiophen-2-yl)-2-piperidin-3-ylethanamine
CID 116936426
1-[(S)-cyclopropyl-(3-methylthiophen-2-yl)methyl]piperazine;dihydrochloride
CID 171276198
(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
CID 130649294
(2-chlorothiophen-3-yl)-pyrrolidin-2-ylmethanol
CID 130713187
2-[fluoro-(4-methylphenyl)methyl]azetidine
CID 105438220

Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine?
The IUPAC name of 2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine (CID 106640377) is 2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine?
The canonical SMILES for 2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine is Cc1ccsc1C(F)C1CCCN1.
What is the InChIKey of 2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine?
The InChIKey is FGJFGMAVCIXJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNS/c1-7-4-6-13-10(7)9(11)8-3-2-5-12-8/h4,6,8-9,12H,2-3,5H2,1H3.
What are the key properties of 2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine?
2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine has a molecular weight of 199.29 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 106640377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).