5-[3,3-difluoropropyl(methyl)amino]-1-pyrrolidin-1-ylhexan-1-one

C14H26F2N2O — CID 178108363

IUPAC5-[3,3-difluoropropyl(methyl)amino]-1-pyrrolidin-1-ylhexan-1-one
SMILESCC(CCCC(=O)N1CCCC1)N(C)CCC(F)F
InChIInChI=1S/C14H26F2N2O/c1-12(17(2)11-8-13(15)16)6-5-7-14(19)18-9-3-4-10-18/h12-13H,3-11H2,1-2H3
InChIKeyKSXIZWTVXNYJLU-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.75
Rot. Bonds8

About 5-[3,3-difluoropropyl(methyl)amino]-1-pyrrolidin-1-ylhexan-1-one

5-[3,3-difluoropropyl(methyl)amino]-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 178108363) has the molecular formula C14H26F2N2O and a molecular weight of 276.37 g/mol. Its IUPAC name is 5-[3,3-difluoropropyl(methyl)amino]-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name5-[3,3-difluoropropyl(methyl)amino]-1-pyrrolidin-1-ylhexan-1-one
PubChem CID178108363
Molecular FormulaC14H26F2N2O
Molecular Weight276.37 g/mol
Exact Mass276.20
IUPAC Name5-[3,3-difluoropropyl(methyl)amino]-1-pyrrolidin-1-ylhexan-1-one
SMILESCC(CCCC(=O)N1CCCC1)N(C)CCC(F)F
InChIInChI=1S/C14H26F2N2O/c1-12(17(2)11-8-13(15)16)6-5-7-14(19)18-9-3-4-10-18/h12-13H,3-11H2,1-2H3
InChIKeyKSXIZWTVXNYJLU-UHFFFAOYSA-N
XLogP2.75
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-5-(1,1,2,2-tetrafluoroethyl)pyrrolidin-2-one
CID 135019481
2,5-Dimethyl-1-heptafluorobutyryloxypyrrolidine
CID 549235
5-(1,1,2,3,3,3-Hexafluoropropyl)-1-methylpyrrolidin-2-one
CID 17997708
5-(2,2-Difluoroethyl)-1-ethylpyrrolidin-2-one
CID 67253793
5-(2,2-Difluoroethyl)-1-(fluoromethyl)pyrrolidin-2-one
CID 67254502
1-Ethyl-5-(2-fluoroethyl)pyrrolidin-2-one
CID 67255512
5-(2,2-Difluoroethyl)-1-methylpyrrolidin-2-one
CID 67255926
1-(2-Ethyl-4,4-difluoropyrrolidin-1-yl)propan-1-one
CID 117640476
5-Ethyl-3,3-difluoro-1-propan-2-ylpyrrolidin-2-one
CID 123325633
3,3-Difluoro-5-methyl-1-propan-2-ylpyrrolidin-2-one
CID 123575448
(5S)-1-propan-2-yl-5-(trifluoromethyl)pyrrolidin-2-one
CID 134506737
1-Acetyl-5-(1,1-difluoroethyl)pyrrolidin-2-one
CID 134563862

Frequently Asked Questions

What is the IUPAC name of 5-[3,3-difluoropropyl(methyl)amino]-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of 5-[3,3-difluoropropyl(methyl)amino]-1-pyrrolidin-1-ylhexan-1-one (CID 178108363) is 5-[3,3-difluoropropyl(methyl)amino]-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for 5-[3,3-difluoropropyl(methyl)amino]-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for 5-[3,3-difluoropropyl(methyl)amino]-1-pyrrolidin-1-ylhexan-1-one is CC(CCCC(=O)N1CCCC1)N(C)CCC(F)F.
What is the InChIKey of 5-[3,3-difluoropropyl(methyl)amino]-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is KSXIZWTVXNYJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O/c1-12(17(2)11-8-13(15)16)6-5-7-14(19)18-9-3-4-10-18/h12-13H,3-11H2,1-2H3.
What are the key properties of 5-[3,3-difluoropropyl(methyl)amino]-1-pyrrolidin-1-ylhexan-1-one?
5-[3,3-difluoropropyl(methyl)amino]-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 276.37 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3-difluoropropyl(methyl)amino]-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 178108363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).