3-fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine

C11H16FNS — CID 112565802

IUPAC3-fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine
SMILESNC1CCC(F)(CCc2ccsc2)C1
InChIInChI=1S/C11H16FNS/c12-11(5-2-10(13)7-11)4-1-9-3-6-14-8-9/h3,6,8,10H,1-2,4-5,7,13H2
InChIKeySQGGMUMSPKHVLD-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.90
Rot. Bonds3

About 3-fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine

3-fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine (PubChem CID 112565802) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine
PubChem CID112565802
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name3-fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine
SMILESNC1CCC(F)(CCc2ccsc2)C1
InChIInChI=1S/C11H16FNS/c12-11(5-2-10(13)7-11)4-1-9-3-6-14-8-9/h3,6,8,10H,1-2,4-5,7,13H2
InChIKeySQGGMUMSPKHVLD-UHFFFAOYSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine?
The IUPAC name of 3-fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine (CID 112565802) is 3-fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine?
The canonical SMILES for 3-fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine is NC1CCC(F)(CCc2ccsc2)C1.
What is the InChIKey of 3-fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine?
The InChIKey is SQGGMUMSPKHVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNS/c12-11(5-2-10(13)7-11)4-1-9-3-6-14-8-9/h3,6,8,10H,1-2,4-5,7,13H2.
What are the key properties of 3-fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine?
3-fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(2-thiophen-3-ylethyl)cyclopentan-1-amine is sourced from PubChem (CID 112565802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).