[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

C13H23F3N2O2S — CID 103151443

IUPAC[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H23F3N2O2S/c14-13(15,16)8-19-4-2-11(18-17)10-1-5-20-12(7-10)3-6-21-9-12/h10-11,18H,1-9,17H2
InChIKeyRGNHTQSJUMQAAS-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.09
Rot. Bonds6

About [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (PubChem CID 103151443) has the molecular formula C13H23F3N2O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
PubChem CID103151443
Molecular FormulaC13H23F3N2O2S
Molecular Weight328.40 g/mol
Exact Mass328.14
IUPAC Name[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)C1CCOC2(CCSC2)C1
InChIInChI=1S/C13H23F3N2O2S/c14-13(15,16)8-19-4-2-11(18-17)10-1-5-20-12(7-10)3-6-21-9-12/h10-11,18H,1-9,17H2
InChIKeyRGNHTQSJUMQAAS-UHFFFAOYSA-N
XLogP2.09
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propyl]hydrazine
CID 105325937
[3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine
CID 103151883
[2-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105325944
3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105259141
N-[(5S,9S)-6-oxa-2-thiaspiro[4.5]decan-9-yl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97015873
[2-(2-methyl-1,3-thiazol-4-yl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105214641
[2-(2-chlorophenyl)-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105209506
2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 79915157
2-ethyl-2-methoxy-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)butan-1-amine
CID 116760457
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine
CID 105206283
2,2-difluoro-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethanamine
CID 103516939
[3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine
CID 105206151

Frequently Asked Questions

What is the IUPAC name of [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The IUPAC name of [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (CID 103151443) is [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.
What is the SMILES notation for [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The canonical SMILES for [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is NNC(CCOCC(F)(F)F)C1CCOC2(CCSC2)C1.
What is the InChIKey of [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The InChIKey is RGNHTQSJUMQAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2S/c14-13(15,16)8-19-4-2-11(18-17)10-1-5-20-12(7-10)3-6-21-9-12/h10-11,18H,1-9,17H2.
What are the key properties of [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine has a molecular weight of 328.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is sourced from PubChem (CID 103151443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).