1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine

C12H16ClF2NS — CID 114145657

IUPAC1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine
SMILESCC(NCC1CCC(F)(F)C1)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClF2NS/c1-8(10-2-3-11(13)17-10)16-7-9-4-5-12(14,15)6-9/h2-3,8-9,16H,4-7H2,1H3
InChIKeyRNJJGEGWGWYKGI-UHFFFAOYSA-N
MW279.78 g/mol
LogP4.49
Rot. Bonds4

About 1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine

1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine (PubChem CID 114145657) has the molecular formula C12H16ClF2NS and a molecular weight of 279.78 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine
PubChem CID114145657
Molecular FormulaC12H16ClF2NS
Molecular Weight279.78 g/mol
Exact Mass279.07
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine
SMILESCC(NCC1CCC(F)(F)C1)c1ccc(Cl)s1
InChIInChI=1S/C12H16ClF2NS/c1-8(10-2-3-11(13)17-10)16-7-9-4-5-12(14,15)6-9/h2-3,8-9,16H,4-7H2,1H3
InChIKeyRNJJGEGWGWYKGI-UHFFFAOYSA-N
XLogP4.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.78
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine (CID 114145657) is 1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine is CC(NCC1CCC(F)(F)C1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine?
The InChIKey is RNJJGEGWGWYKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClF2NS/c1-8(10-2-3-11(13)17-10)16-7-9-4-5-12(14,15)6-9/h2-3,8-9,16H,4-7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine?
1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine has a molecular weight of 279.78 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(3,3-difluorocyclopentyl)methyl]ethanamine is sourced from PubChem (CID 114145657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).