1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine

C8H11F2N3 — CID 116961736

IUPAC1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine
SMILESCNC(NN)c1cc(F)ccc1F
InChIInChI=1S/C8H11F2N3/c1-12-8(13-11)6-4-5(9)2-3-7(6)10/h2-4,8,12-13H,11H2,1H3
InChIKeyBXRUXIOXHNXRRK-UHFFFAOYSA-N
MW187.19 g/mol
LogP0.65
Rot. Bonds3

About 1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine

1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine (PubChem CID 116961736) has the molecular formula C8H11F2N3 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine
PubChem CID116961736
Molecular FormulaC8H11F2N3
Molecular Weight187.19 g/mol
Exact Mass187.09
IUPAC Name1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine
SMILESCNC(NN)c1cc(F)ccc1F
InChIInChI=1S/C8H11F2N3/c1-12-8(13-11)6-4-5(9)2-3-7(6)10/h2-4,8,12-13H,11H2,1H3
InChIKeyBXRUXIOXHNXRRK-UHFFFAOYSA-N
XLogP0.65
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 50.65
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-difluorophenyl)ethylhydrazine
CID 53402215
[1-(2,5-difluorophenyl)-2,3-dimethylbutyl]hydrazine
CID 105303401
[(2,5-difluorophenyl)-(4-fluorophenyl)methyl]hydrazine
CID 105192702
[(5-chloro-2-fluorophenyl)-(2,5-difluorophenyl)methyl]hydrazine
CID 105280098
[(2,5-difluorophenyl)-(furan-2-yl)methyl]hydrazine
CID 105213547
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
1-(2,5-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43482919
4-(2,5-difluorophenyl)-N-methylpentan-2-amine
CID 64720969
1-(5-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 43482895
1-(2,5-difluorophenyl)-N,3-dimethylbutan-1-amine
CID 43482933
1-(2,5-difluorophenyl)-1-(3,4-difluorophenyl)-N-methylmethanamine
CID 43482905
[(2,5-difluorophenyl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 105219377

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine?
The IUPAC name of 1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine (CID 116961736) is 1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine?
The canonical SMILES for 1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine is CNC(NN)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine?
The InChIKey is BXRUXIOXHNXRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3/c1-12-8(13-11)6-4-5(9)2-3-7(6)10/h2-4,8,12-13H,11H2,1H3.
What are the key properties of 1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine?
1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine has a molecular weight of 187.19 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-1-hydrazinyl-N-methylmethanamine is sourced from PubChem (CID 116961736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).