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

C15H28F2N2O2 — CID 103151953

IUPAC[3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine
SMILESNNC(CCOCC(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H28F2N2O2/c16-14(17)11-20-8-5-13(19-18)12-4-9-21-15(10-12)6-2-1-3-7-15/h12-14,19H,1-11,18H2
InChIKeyPJWRDJDEHKECQB-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.62
Rot. Bonds7

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

[3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine (PubChem CID 103151953) has the molecular formula C15H28F2N2O2 and a molecular weight of 306.40 g/mol. Its IUPAC name is [3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine.

Molecular Properties

Compound Name[3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine
PubChem CID103151953
Molecular FormulaC15H28F2N2O2
Molecular Weight306.40 g/mol
Exact Mass306.21
IUPAC Name[3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine
SMILESNNC(CCOCC(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C15H28F2N2O2/c16-14(17)11-20-8-5-13(19-18)12-4-9-21-15(10-12)6-2-1-3-7-15/h12-14,19H,1-11,18H2
InChIKeyPJWRDJDEHKECQB-UHFFFAOYSA-N
XLogP2.62
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3,3,3-Trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 79914930
4,4,4-Trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
CID 79954090
[1-(4,4-Difluorocyclohexyl)-4-methoxy-4-methylpentyl]hydrazine
CID 103026280
[4-Methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026334
[4-Methoxy-4-methyl-1-[2-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026395
[4-Methoxy-4-methyl-1-[4-(trifluoromethyl)cyclohexyl]pentyl]hydrazine
CID 103026483
1-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148028
1-(1-Oxaspiro[5.5]undecan-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148047
3-(2,2-Difluoroethoxy)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 103148899
3-(2,2-Difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
CID 103148924
[1-(5-Oxaspiro[3.5]nonan-8-yl)-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151509
[1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151539

Frequently Asked Questions

What is the IUPAC name of [3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine?
The IUPAC name of [3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine (CID 103151953) is [3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine.
What is the SMILES notation for [3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine?
The canonical SMILES for [3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine is NNC(CCOCC(F)F)C1CCOC2(CCCCC2)C1.
What is the InChIKey of [3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine?
The InChIKey is PJWRDJDEHKECQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N2O2/c16-14(17)11-20-8-5-13(19-18)12-4-9-21-15(10-12)6-2-1-3-7-15/h12-14,19H,1-11,18H2.
What are the key properties of [3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine?
[3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine has a molecular weight of 306.40 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2-difluoroethoxy)-1-(1-oxaspiro[5.5]undecan-4-yl)propyl]hydrazine is sourced from PubChem (CID 103151953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).