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

C10H13F2NS — CID 116839038

IUPAC2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
SMILESCc1ccsc1C(F)(F)C1CCCN1
InChIInChI=1S/C10H13F2NS/c1-7-4-6-14-9(7)10(11,12)8-3-2-5-13-8/h4,6,8,13H,2-3,5H2,1H3
InChIKeyZVUFZXIMBDPYKS-UHFFFAOYSA-N
MW217.28 g/mol
LogP2.90
Rot. Bonds2

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

2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine (PubChem CID 116839038) has the molecular formula C10H13F2NS and a molecular weight of 217.28 g/mol. Its IUPAC name is 2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
PubChem CID116839038
Molecular FormulaC10H13F2NS
Molecular Weight217.28 g/mol
Exact Mass217.07
IUPAC Name2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
SMILESCc1ccsc1C(F)(F)C1CCCN1
InChIInChI=1S/C10H13F2NS/c1-7-4-6-14-9(7)10(11,12)8-3-2-5-13-8/h4,6,8,13H,2-3,5H2,1H3
InChIKeyZVUFZXIMBDPYKS-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylthiophen-3-yl)-1-pyrrolidin-2-ylethanol
CID 130826239
2-[(5-bromo-2-methylphenyl)-difluoromethyl]piperidine
CID 116839210
2-[fluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine
CID 106640377
2-[difluoro-(4-propan-2-yloxyphenyl)methyl]pyrrolidine
CID 116838978
2-[difluoro(1H-pyrrol-3-yl)methyl]piperidine
CID 116839188
2-[1-fluoro-1-(2-methylphenyl)ethyl]piperidine
CID 84724881
2-[difluoro(phenyl)methyl]azepane
CID 105483060
2-[difluoro(naphthalen-1-yl)methyl]pyrrolidine
CID 116839033
2-[(4-bromothiophen-2-yl)-difluoromethyl]piperidine
CID 116839192
2-[(2,5-dimethoxyphenyl)-difluoromethyl]pyrrolidine
CID 116838944
2-[1-fluoro-1-(3-methylphenyl)ethyl]pyrrolidine
CID 84722501
1-(4-fluoro-3-methylphenyl)-1-pyrrolidin-2-ylethanol
CID 82287159

Frequently Asked Questions

What is the IUPAC name of 2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine?
The IUPAC name of 2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine (CID 116839038) is 2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine?
The canonical SMILES for 2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine is Cc1ccsc1C(F)(F)C1CCCN1.
What is the InChIKey of 2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine?
The InChIKey is ZVUFZXIMBDPYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NS/c1-7-4-6-14-9(7)10(11,12)8-3-2-5-13-8/h4,6,8,13H,2-3,5H2,1H3.
What are the key properties of 2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine?
2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine has a molecular weight of 217.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro-(3-methylthiophen-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 116839038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).