5-[(3,3-difluorocyclopentyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one

C16H28F2N2O — CID 178108527

IUPAC5-[(3,3-difluorocyclopentyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one
SMILESCC(CCCC(=O)N1CCCC1)N(C)C1CCC(F)(F)C1
InChIInChI=1S/C16H28F2N2O/c1-13(19(2)14-8-9-16(17,18)12-14)6-5-7-15(21)20-10-3-4-11-20/h13-14H,3-12H2,1-2H3
InChIKeyJGLICCQFZVWJPS-UHFFFAOYSA-N
MW302.41 g/mol
LogP3.29
Rot. Bonds6

About 5-[(3,3-difluorocyclopentyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one

5-[(3,3-difluorocyclopentyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 178108527) has the molecular formula C16H28F2N2O and a molecular weight of 302.41 g/mol. Its IUPAC name is 5-[(3,3-difluorocyclopentyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name5-[(3,3-difluorocyclopentyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one
PubChem CID178108527
Molecular FormulaC16H28F2N2O
Molecular Weight302.41 g/mol
Exact Mass302.22
IUPAC Name5-[(3,3-difluorocyclopentyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one
SMILESCC(CCCC(=O)N1CCCC1)N(C)C1CCC(F)(F)C1
InChIInChI=1S/C16H28F2N2O/c1-13(19(2)14-8-9-16(17,18)12-14)6-5-7-15(21)20-10-3-4-11-20/h13-14H,3-12H2,1-2H3
InChIKeyJGLICCQFZVWJPS-UHFFFAOYSA-N
XLogP3.29
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,3-difluorocyclopentyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 5-[(3,3-difluorocyclopentyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one (CID 178108527) is 5-[(3,3-difluorocyclopentyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 5-[(3,3-difluorocyclopentyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 5-[(3,3-difluorocyclopentyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one is CC(CCCC(=O)N1CCCC1)N(C)C1CCC(F)(F)C1.
What is the InChIKey of 5-[(3,3-difluorocyclopentyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is JGLICCQFZVWJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28F2N2O/c1-13(19(2)14-8-9-16(17,18)12-14)6-5-7-15(21)20-10-3-4-11-20/h13-14H,3-12H2,1-2H3.
What are the key properties of 5-[(3,3-difluorocyclopentyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one?
5-[(3,3-difluorocyclopentyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 302.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,3-difluorocyclopentyl)-methylamino]-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 178108527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).