N-[(3,3-difluorocyclopentyl)methyl]ethanamine

C8H15F2N — CID 126974524

IUPACN-[(3,3-difluorocyclopentyl)methyl]ethanamine
SMILESCCNCC1CCC(F)(F)C1
InChIInChI=1S/C8H15F2N/c1-2-11-6-7-3-4-8(9,10)5-7/h7,11H,2-6H2,1H3
InChIKeyWRGXJJUVUXLXLX-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.03
Rot. Bonds3

About N-[(3,3-difluorocyclopentyl)methyl]ethanamine

N-[(3,3-difluorocyclopentyl)methyl]ethanamine (PubChem CID 126974524) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is N-[(3,3-difluorocyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,3-difluorocyclopentyl)methyl]ethanamine
PubChem CID126974524
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC NameN-[(3,3-difluorocyclopentyl)methyl]ethanamine
SMILESCCNCC1CCC(F)(F)C1
InChIInChI=1S/C8H15F2N/c1-2-11-6-7-3-4-8(9,10)5-7/h7,11H,2-6H2,1H3
InChIKeyWRGXJJUVUXLXLX-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(3,3-difluorocyclopentyl)methyl]ethanamine (CID 126974524) is N-[(3,3-difluorocyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(3,3-difluorocyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(3,3-difluorocyclopentyl)methyl]ethanamine is CCNCC1CCC(F)(F)C1.
What is the InChIKey of N-[(3,3-difluorocyclopentyl)methyl]ethanamine?
The InChIKey is WRGXJJUVUXLXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-2-11-6-7-3-4-8(9,10)5-7/h7,11H,2-6H2,1H3.
What are the key properties of N-[(3,3-difluorocyclopentyl)methyl]ethanamine?
N-[(3,3-difluorocyclopentyl)methyl]ethanamine has a molecular weight of 163.21 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-difluorocyclopentyl)methyl]ethanamine is sourced from PubChem (CID 126974524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).