[3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine

C14H26F2N2O2S — CID 103151883

IUPAC[3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine
SMILESNNC(CCOCC(F)F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H26F2N2O2S/c15-13(16)10-19-5-2-12(18-17)11-1-6-20-14(9-11)3-7-21-8-4-14/h11-13,18H,1-10,17H2
InChIKeyMEHWBWKSKWTJDO-UHFFFAOYSA-N
MW324.44 g/mol
LogP2.18
Rot. Bonds7

About [3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine

[3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine (PubChem CID 103151883) has the molecular formula C14H26F2N2O2S and a molecular weight of 324.44 g/mol. Its IUPAC name is [3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine.

Molecular Properties

Compound Name[3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine
PubChem CID103151883
Molecular FormulaC14H26F2N2O2S
Molecular Weight324.44 g/mol
Exact Mass324.17
IUPAC Name[3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine
SMILESNNC(CCOCC(F)F)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H26F2N2O2S/c15-13(16)10-19-5-2-12(18-17)11-1-6-20-14(9-11)3-7-21-8-4-14/h11-13,18H,1-10,17H2
InChIKeyMEHWBWKSKWTJDO-UHFFFAOYSA-N
XLogP2.18
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 52.18
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

[1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151443
3-(2,2-difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 103149235
3-hydrazinyl-N,N-dimethyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 105259141
3-(2,2-difluoroethoxy)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-N-methylpropan-1-amine
CID 103149172
3-(2,2-difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 103148828
3-methoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914460
[2-(1-methoxycyclobutyl)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)ethyl]hydrazine
CID 103560547
[1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methoxypropyl]hydrazine
CID 105206283
[3-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)propyl]hydrazine
CID 105325937
4-ethoxy-N-methyl-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 105170822
[2-cyclopentyl-1-(6-oxa-2-thiaspiro[4.5]decan-9-yl)ethyl]hydrazine
CID 105325944
[1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-2-pyridin-4-ylethyl]hydrazine
CID 105212345

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine?
The IUPAC name of [3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine (CID 103151883) is [3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine.
What is the SMILES notation for [3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine?
The canonical SMILES for [3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine is NNC(CCOCC(F)F)C1CCOC2(CCSCC2)C1.
What is the InChIKey of [3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine?
The InChIKey is MEHWBWKSKWTJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N2O2S/c15-13(16)10-19-5-2-12(18-17)11-1-6-20-14(9-11)3-7-21-8-4-14/h11-13,18H,1-10,17H2.
What are the key properties of [3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine?
[3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine has a molecular weight of 324.44 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethoxy)-1-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)propyl]hydrazine is sourced from PubChem (CID 103151883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).