1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one

C8H12F3NO2 — CID 116579702

IUPAC1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one
SMILESNC1(C(=O)CCC(F)(F)F)CCOC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)2-1-6(13)7(12)3-4-14-5-7/h1-5,12H2
InChIKeyCVDARGTUZCHZKE-UHFFFAOYSA-N
MW211.18 g/mol
LogP1.02
Rot. Bonds3

About 1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one

1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one (PubChem CID 116579702) has the molecular formula C8H12F3NO2 and a molecular weight of 211.18 g/mol. Its IUPAC name is 1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one.

Molecular Properties

Compound Name1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one
PubChem CID116579702
Molecular FormulaC8H12F3NO2
Molecular Weight211.18 g/mol
Exact Mass211.08
IUPAC Name1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one
SMILESNC1(C(=O)CCC(F)(F)F)CCOC1
InChIInChI=1S/C8H12F3NO2/c9-8(10,11)2-1-6(13)7(12)3-4-14-5-7/h1-5,12H2
InChIKeyCVDARGTUZCHZKE-UHFFFAOYSA-N
XLogP1.02
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(10,10-difluorodecanoyl)oxolan-2-one
CID 67677387
1-(3-Aminooxolan-3-yl)-5,5,5-trifluoropentan-1-one
CID 116579643
1-(4-Aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one
CID 116587616
1-(4-Aminooxan-4-yl)-4,4,4-trifluorobutan-1-one
CID 116604735
1-(3-Aminooxolan-3-yl)-2-methylbutan-1-one
CID 116579484
1-(3-Aminooxolan-3-yl)butan-1-one
CID 116579495
1-(3-Aminooxolan-3-yl)pentan-1-one
CID 116579498
1-(3-Aminooxolan-3-yl)-3-methylbutan-1-one
CID 116579499
1-(3-Aminooxolan-3-yl)pent-4-yn-1-one
CID 116579666
(3-Aminooxolan-3-yl)-cyclopropylmethanone
CID 116579704
1-(3-Aminooxolan-3-yl)-2-ethylbutan-1-one
CID 116579711
1-(3-Aminooxolan-3-yl)hex-4-yn-1-one
CID 116579749

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one?
The IUPAC name of 1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one (CID 116579702) is 1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one.
What is the SMILES notation for 1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one?
The canonical SMILES for 1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one is NC1(C(=O)CCC(F)(F)F)CCOC1.
What is the InChIKey of 1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one?
The InChIKey is CVDARGTUZCHZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO2/c9-8(10,11)2-1-6(13)7(12)3-4-14-5-7/h1-5,12H2.
What are the key properties of 1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one?
1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one has a molecular weight of 211.18 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminooxolan-3-yl)-4,4,4-trifluorobutan-1-one is sourced from PubChem (CID 116579702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).