1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine

C10H18FN3 — CID 175360509

IUPAC1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine
SMILESCCNC1=CCC(NF)(NCC)C=C1
InChIInChI=1S/C10H18FN3/c1-3-12-9-5-7-10(14-11,8-6-9)13-4-2/h5-7,12-14H,3-4,8H2,1-2H3
InChIKeySYQYWOVFRJKLGP-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.22
Rot. Bonds5

About 1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine

1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine (PubChem CID 175360509) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is 1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine.

Molecular Properties

Compound Name1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine
PubChem CID175360509
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine
SMILESCCNC1=CCC(NF)(NCC)C=C1
InChIInChI=1S/C10H18FN3/c1-3-12-9-5-7-10(14-11,8-6-9)13-4-2/h5-7,12-14H,3-4,8H2,1-2H3
InChIKeySYQYWOVFRJKLGP-UHFFFAOYSA-N
XLogP1.22
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine?
The IUPAC name of 1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine (CID 175360509) is 1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine.
What is the SMILES notation for 1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine?
The canonical SMILES for 1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine is CCNC1=CCC(NF)(NCC)C=C1.
What is the InChIKey of 1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine?
The InChIKey is SYQYWOVFRJKLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-3-12-9-5-7-10(14-11,8-6-9)13-4-2/h5-7,12-14H,3-4,8H2,1-2H3.
What are the key properties of 1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine?
1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine has a molecular weight of 199.27 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-diethyl-1-N'-fluorocyclohexa-2,4-diene-1,1,4-triamine is sourced from PubChem (CID 175360509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).