1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine

C9H16F3NO2S — CID 115517578

IUPAC1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine
SMILESNC(CCCC(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H16F3NO2S/c10-9(11,12)4-1-2-8(13)7-3-5-16(14,15)6-7/h7-8H,1-6,13H2
InChIKeyJOKFYIOWUAVOND-UHFFFAOYSA-N
MW259.29 g/mol
LogP1.48
Rot. Bonds4

About 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine

1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine (PubChem CID 115517578) has the molecular formula C9H16F3NO2S and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine.

Molecular Properties

Compound Name1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine
PubChem CID115517578
Molecular FormulaC9H16F3NO2S
Molecular Weight259.29 g/mol
Exact Mass259.09
IUPAC Name1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine
SMILESNC(CCCC(F)(F)F)C1CCS(=O)(=O)C1
InChIInChI=1S/C9H16F3NO2S/c10-9(11,12)4-1-2-8(13)7-3-5-16(14,15)6-7/h7-8H,1-6,13H2
InChIKeyJOKFYIOWUAVOND-UHFFFAOYSA-N
XLogP1.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(1,1-dioxothiolan-3-yl)-4,4,4-trifluorobutyl]hydrazine
CID 105258756
1-(1,1-dioxothiolan-3-yl)-2,2,2-trifluoroethanamine
CID 131521427
2-cyclobutyl-1-(1,1-dioxothiolan-3-yl)ethanamine
CID 115336614
1-cyclopropyl-4,4,4-trifluorobutan-1-amine
CID 64565355
1-(1,1-dioxothiolan-3-yl)-3-methylidenepentan-1-amine
CID 115336537
2-(1,1-dioxothiolan-3-yl)-6,6-dimethylheptan-1-ol
CID 114210553
1-(1,1-dioxothiolan-3-yl)-2-(oxan-4-yl)ethanamine
CID 65019905
1-(1,1-dioxothian-4-yl)butan-1-amine
CID 83048118
1-(1,1-dioxothiolan-3-yl)-6,6,6-trifluoro-N-propylhexan-2-amine
CID 105174291
1-(1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropan-1-amine
CID 65020401
3-[1-chloro-4-(trifluoromethylsulfanyl)butan-2-yl]thiolane 1,1-dioxide
CID 116627920
1-(1,1-dioxothiolan-3-yl)-2-methylprop-2-en-1-amine
CID 115336612

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine?
The IUPAC name of 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine (CID 115517578) is 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine.
What is the SMILES notation for 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine?
The canonical SMILES for 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine is NC(CCCC(F)(F)F)C1CCS(=O)(=O)C1.
What is the InChIKey of 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine?
The InChIKey is JOKFYIOWUAVOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2S/c10-9(11,12)4-1-2-8(13)7-3-5-16(14,15)6-7/h7-8H,1-6,13H2.
What are the key properties of 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine?
1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine has a molecular weight of 259.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothiolan-3-yl)-5,5,5-trifluoropentan-1-amine is sourced from PubChem (CID 115517578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).