5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide

C8H12F6N2O2 — CID 102723432

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide
SMILESNNC(=O)CCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6N2O2/c9-7(10,11)6(8(12,13)14)18-4-2-1-3-5(17)16-15/h6H,1-4,15H2,(H,16,17)
InChIKeyOQIARYXHUKGBJK-UHFFFAOYSA-N
MW282.18 g/mol
LogP1.66
Rot. Bonds6

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide

5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide (PubChem CID 102723432) has the molecular formula C8H12F6N2O2 and a molecular weight of 282.18 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide
PubChem CID102723432
Molecular FormulaC8H12F6N2O2
Molecular Weight282.18 g/mol
Exact Mass282.08
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide
SMILESNNC(=O)CCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6N2O2/c9-7(10,11)6(8(12,13)14)18-4-2-1-3-5(17)16-15/h6H,1-4,15H2,(H,16,17)
InChIKeyOQIARYXHUKGBJK-UHFFFAOYSA-N
XLogP1.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

5-(2,2-difluoroethoxy)pentanehydrazide
CID 82009779
hexanedihydrazide;pentanedihydrazide
CID 157195533
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)propanoic acid
CID 102685236
5-(2,3,4,5,6-pentafluorophenoxy)pentanehydrazide
CID 63570877
1-bromo-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butane
CID 102722024
hexanehydrazide;2,2,2-trifluoroacetic acid
CID 161488585
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-methylpentan-1-amine
CID 102723237
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)hexan-2-amine
CID 102721961
5-(2,3-difluorophenoxy)pentanehydrazide
CID 63569509
2-amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanoic acid
CID 106807179
10-hydrazinyl-10-oxodecanoic acid
CID 175271493
12-hydroxydodecanehydrazide
CID 12718243

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide (CID 102723432) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide is NNC(=O)CCCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide?
The InChIKey is OQIARYXHUKGBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6N2O2/c9-7(10,11)6(8(12,13)14)18-4-2-1-3-5(17)16-15/h6H,1-4,15H2,(H,16,17).
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide?
5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide has a molecular weight of 282.18 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentanehydrazide is sourced from PubChem (CID 102723432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).