[1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine

C13H22F4N2O — CID 103477677

IUPAC[1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
SMILESNNC(COCC(F)(F)C(F)F)CC1CC2CCC1C2
InChIInChI=1S/C13H22F4N2O/c14-12(15)13(16,17)7-20-6-11(19-18)5-10-4-8-1-2-9(10)3-8/h8-12,19H,1-7,18H2
InChIKeyVVPZBQLSGDBCTP-UHFFFAOYSA-N
MW298.32 g/mol
LogP2.56
Rot. Bonds8

About [1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine

[1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine (PubChem CID 103477677) has the molecular formula C13H22F4N2O and a molecular weight of 298.32 g/mol. Its IUPAC name is [1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
PubChem CID103477677
Molecular FormulaC13H22F4N2O
Molecular Weight298.32 g/mol
Exact Mass298.17
IUPAC Name[1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine
SMILESNNC(COCC(F)(F)C(F)F)CC1CC2CCC1C2
InChIInChI=1S/C13H22F4N2O/c14-12(15)13(16,17)7-20-6-11(19-18)5-10-4-8-1-2-9(10)3-8/h8-12,19H,1-7,18H2
InChIKeyVVPZBQLSGDBCTP-UHFFFAOYSA-N
XLogP2.56
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine (CID 103477677) is [1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine is NNC(COCC(F)(F)C(F)F)CC1CC2CCC1C2.
What is the InChIKey of [1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine?
The InChIKey is VVPZBQLSGDBCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F4N2O/c14-12(15)13(16,17)7-20-6-11(19-18)5-10-4-8-1-2-9(10)3-8/h8-12,19H,1-7,18H2.
What are the key properties of [1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine?
[1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine has a molecular weight of 298.32 g/mol, XLogP of 2.56, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bicyclo[2.2.1]heptanyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-yl]hydrazine is sourced from PubChem (CID 103477677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).