1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one

C13H23F3N2O — CID 116534604

IUPAC1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one
SMILESCC(CCCC(F)(F)F)NC(C)CN1CCCC1=O
InChIInChI=1S/C13H23F3N2O/c1-10(5-3-7-13(14,15)16)17-11(2)9-18-8-4-6-12(18)19/h10-11,17H,3-9H2,1-2H3
InChIKeyBJQLCWWCRPRAHT-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.71
Rot. Bonds7

About 1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one

1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one (PubChem CID 116534604) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one
PubChem CID116534604
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one
SMILESCC(CCCC(F)(F)F)NC(C)CN1CCCC1=O
InChIInChI=1S/C13H23F3N2O/c1-10(5-3-7-13(14,15)16)17-11(2)9-18-8-4-6-12(18)19/h10-11,17H,3-9H2,1-2H3
InChIKeyBJQLCWWCRPRAHT-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(4-methoxy-4-methylpentan-2-yl)amino]propyl]pyrrolidin-2-one
CID 54865922
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957992
1-[2-[[2-ethyl-2-(hydroxymethyl)butyl]amino]propyl]pyrrolidin-2-one
CID 81418600
1-[2-[(3-hydroxy-2,2-dimethylpropyl)amino]propyl]pyrrolidin-2-one
CID 81411750
1-[2-[(3-methoxy-3-methylbutan-2-yl)amino]propyl]pyrrolidin-2-one
CID 114228203
1-(4-hydroxy-2-methylbutyl)pyrrolidin-2-one
CID 104550322
5-methyl-N-(6,6,6-trifluorohexan-2-yl)hexan-2-amine
CID 116534085
1-[2-(1-cyclopropylpropylamino)propyl]pyrrolidin-2-one
CID 64918845
tert-butyl N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamate
CID 63789574
1-[2-[1-(1-ethylpiperidin-3-yl)ethylamino]propyl]pyrrolidin-2-one
CID 60932602
1-[2-(2,2-dimethoxyethylamino)propyl]pyrrolidin-2-one
CID 63696542
3-methyl-2-[(2-oxopyrrolidin-1-yl)methyl]butanoic acid
CID 65220431

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one (CID 116534604) is 1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one is CC(CCCC(F)(F)F)NC(C)CN1CCCC1=O.
What is the InChIKey of 1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one?
The InChIKey is BJQLCWWCRPRAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-10(5-3-7-13(14,15)16)17-11(2)9-18-8-4-6-12(18)19/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one?
1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one has a molecular weight of 280.33 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,6,6-trifluorohexan-2-ylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 116534604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).