1-(fluoromethyl)-4-(2-nitrosoethyl)piperazine

C7H14FN3O — CID 155471371

IUPAC1-(fluoromethyl)-4-(2-nitrosoethyl)piperazine
SMILESO=NCCN1CCN(CF)CC1
InChIInChI=1S/C7H14FN3O/c8-7-11-5-3-10(4-6-11)2-1-9-12/h1-7H2
InChIKeyUHQDRVPMYIZPTR-UHFFFAOYSA-N
MW175.21 g/mol
LogP0.30
Rot. Bonds4

About 1-(fluoromethyl)-4-(2-nitrosoethyl)piperazine

1-(fluoromethyl)-4-(2-nitrosoethyl)piperazine (PubChem CID 155471371) has the molecular formula C7H14FN3O and a molecular weight of 175.21 g/mol. Its IUPAC name is 1-(fluoromethyl)-4-(2-nitrosoethyl)piperazine.

Molecular Properties

Compound Name1-(fluoromethyl)-4-(2-nitrosoethyl)piperazine
PubChem CID155471371
Molecular FormulaC7H14FN3O
Molecular Weight175.21 g/mol
Exact Mass175.11
IUPAC Name1-(fluoromethyl)-4-(2-nitrosoethyl)piperazine
SMILESO=NCCN1CCN(CF)CC1
InChIInChI=1S/C7H14FN3O/c8-7-11-5-3-10(4-6-11)2-1-9-12/h1-7H2
InChIKeyUHQDRVPMYIZPTR-UHFFFAOYSA-N
XLogP0.30
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethyl)-4-(2-nitrosoethyl)piperazine?
The IUPAC name of 1-(fluoromethyl)-4-(2-nitrosoethyl)piperazine (CID 155471371) is 1-(fluoromethyl)-4-(2-nitrosoethyl)piperazine.
What is the SMILES notation for 1-(fluoromethyl)-4-(2-nitrosoethyl)piperazine?
The canonical SMILES for 1-(fluoromethyl)-4-(2-nitrosoethyl)piperazine is O=NCCN1CCN(CF)CC1.
What is the InChIKey of 1-(fluoromethyl)-4-(2-nitrosoethyl)piperazine?
The InChIKey is UHQDRVPMYIZPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN3O/c8-7-11-5-3-10(4-6-11)2-1-9-12/h1-7H2.
What are the key properties of 1-(fluoromethyl)-4-(2-nitrosoethyl)piperazine?
1-(fluoromethyl)-4-(2-nitrosoethyl)piperazine has a molecular weight of 175.21 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethyl)-4-(2-nitrosoethyl)piperazine is sourced from PubChem (CID 155471371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).