[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine

C12H18F2N4O — CID 103150525

IUPAC[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
SMILESNNc1nc(CCOCC(F)F)nc2c1CCCC2
InChIInChI=1S/C12H18F2N4O/c13-10(14)7-19-6-5-11-16-9-4-2-1-3-8(9)12(17-11)18-15/h10H,1-7,15H2,(H,16,17,18)
InChIKeyFIYLPWPDDSCJQD-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.47
Rot. Bonds6

About [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine

[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine (PubChem CID 103150525) has the molecular formula C12H18F2N4O and a molecular weight of 272.30 g/mol. Its IUPAC name is [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine.

Molecular Properties

Compound Name[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
PubChem CID103150525
Molecular FormulaC12H18F2N4O
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine
SMILESNNc1nc(CCOCC(F)F)nc2c1CCCC2
InChIInChI=1S/C12H18F2N4O/c13-10(14)7-19-6-5-11-16-9-4-2-1-3-8(9)12(17-11)18-15/h10H,1-7,15H2,(H,16,17,18)
InChIKeyFIYLPWPDDSCJQD-UHFFFAOYSA-N
XLogP1.47
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.47
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]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The IUPAC name of [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine (CID 103150525) is [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine.
What is the SMILES notation for [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The canonical SMILES for [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine is NNc1nc(CCOCC(F)F)nc2c1CCCC2.
What is the InChIKey of [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
The InChIKey is FIYLPWPDDSCJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N4O/c13-10(14)7-19-6-5-11-16-9-4-2-1-3-8(9)12(17-11)18-15/h10H,1-7,15H2,(H,16,17,18).
What are the key properties of [2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine?
[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine has a molecular weight of 272.30 g/mol, XLogP of 1.47, 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]-5,6,7,8-tetrahydroquinazolin-4-yl]hydrazine is sourced from PubChem (CID 103150525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).