[2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

C11H16F2N4O — CID 103150512

IUPAC[2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(CCOCC(F)F)nc2c1CCC2
InChIInChI=1S/C11H16F2N4O/c12-9(13)6-18-5-4-10-15-8-3-1-2-7(8)11(16-10)17-14/h9H,1-6,14H2,(H,15,16,17)
InChIKeyQOFAXVANHLTNQY-UHFFFAOYSA-N
MW258.27 g/mol
LogP1.08
Rot. Bonds6

About [2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine

[2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (PubChem CID 103150512) has the molecular formula C11H16F2N4O and a molecular weight of 258.27 g/mol. Its IUPAC name is [2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
PubChem CID103150512
Molecular FormulaC11H16F2N4O
Molecular Weight258.27 g/mol
Exact Mass258.13
IUPAC Name[2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine
SMILESNNc1nc(CCOCC(F)F)nc2c1CCC2
InChIInChI=1S/C11H16F2N4O/c12-9(13)6-18-5-4-10-15-8-3-1-2-7(8)11(16-10)17-14/h9H,1-6,14H2,(H,15,16,17)
InChIKeyQOFAXVANHLTNQY-UHFFFAOYSA-N
XLogP1.08
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 51.08
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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Frequently Asked Questions

What is the IUPAC name of [2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The IUPAC name of [2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine (CID 103150512) is [2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine.
What is the SMILES notation for [2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The canonical SMILES for [2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is NNc1nc(CCOCC(F)F)nc2c1CCC2.
What is the InChIKey of [2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
The InChIKey is QOFAXVANHLTNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N4O/c12-9(13)6-18-5-4-10-15-8-3-1-2-7(8)11(16-10)17-14/h9H,1-6,14H2,(H,15,16,17).
What are the key properties of [2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine?
[2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine has a molecular weight of 258.27 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(2,2-difluoroethoxy)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]hydrazine is sourced from PubChem (CID 103150512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).