N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine

C8H11FN2 — CID 89473310

IUPACN'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine
SMILESC=C1C=C(F)C=CC1NCN
InChIInChI=1S/C8H11FN2/c1-6-4-7(9)2-3-8(6)11-5-10/h2-4,8,11H,1,5,10H2
InChIKeyWUSRACUFNSLUCI-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.84
Rot. Bonds2

About N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine

N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine (PubChem CID 89473310) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine.

Molecular Properties

Compound NameN'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine
PubChem CID89473310
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC NameN'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine
SMILESC=C1C=C(F)C=CC1NCN
InChIInChI=1S/C8H11FN2/c1-6-4-7(9)2-3-8(6)11-5-10/h2-4,8,11H,1,5,10H2
InChIKeyWUSRACUFNSLUCI-UHFFFAOYSA-N
XLogP0.84
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine?
The IUPAC name of N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine (CID 89473310) is N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine.
What is the SMILES notation for N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine?
The canonical SMILES for N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine is C=C1C=C(F)C=CC1NCN.
What is the InChIKey of N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine?
The InChIKey is WUSRACUFNSLUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-6-4-7(9)2-3-8(6)11-5-10/h2-4,8,11H,1,5,10H2.
What are the key properties of N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine?
N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine has a molecular weight of 154.19 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)methanediamine is sourced from PubChem (CID 89473310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).