(2,6-difluorophenyl)methylideneurea

C8H6F2N2O — CID 152634177

IUPAC(2,6-difluorophenyl)methylideneurea
SMILESNC(=O)N=Cc1c(F)cccc1F
InChIInChI=1S/C8H6F2N2O/c9-6-2-1-3-7(10)5(6)4-12-8(11)13/h1-4H,(H2,11,13)
InChIKeyZEEFFUSUWCBOCT-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.46
Rot. Bonds1

About (2,6-difluorophenyl)methylideneurea

(2,6-difluorophenyl)methylideneurea (PubChem CID 152634177) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is (2,6-difluorophenyl)methylideneurea.

Molecular Properties

Compound Name(2,6-difluorophenyl)methylideneurea
PubChem CID152634177
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name(2,6-difluorophenyl)methylideneurea
SMILESNC(=O)N=Cc1c(F)cccc1F
InChIInChI=1S/C8H6F2N2O/c9-6-2-1-3-7(10)5(6)4-12-8(11)13/h1-4H,(H2,11,13)
InChIKeyZEEFFUSUWCBOCT-UHFFFAOYSA-N
XLogP1.46
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

ethyl N-[(E)-(2,6-difluorophenyl)methylideneamino]carbamate
CID 6902012
acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine
CID 146217414
2-amino-3-[(2-chloro-6-fluorophenyl)methylideneamino]but-2-enedinitrile
CID 3736377
2-fluoro-6-methanehydrazonoylbenzoic acid
CID 168531555
CID 161042703
CID 161042703
(E)-3-(2,6-difluorophenyl)prop-2-enimidamide
CID 131242918
(E)-4-(2,6-difluorophenyl)but-3-en-2-one
CID 18371119
(E)-3-(2,6-difluorophenyl)prop-2-enoyl chloride
CID 11424232
[(E)-(2,3-difluorophenyl)methylideneamino]urea
CID 10012988
N-[(2,6-difluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 123786002
methyl (E)-3-(2-amino-6-fluorophenyl)prop-2-enoate
CID 69423141
[2-[(diaminomethylidenehydrazinylidene)methyl]-3-fluorophenyl]boronic acid
CID 168592502

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)methylideneurea?
The IUPAC name of (2,6-difluorophenyl)methylideneurea (CID 152634177) is (2,6-difluorophenyl)methylideneurea.
What is the SMILES notation for (2,6-difluorophenyl)methylideneurea?
The canonical SMILES for (2,6-difluorophenyl)methylideneurea is NC(=O)N=Cc1c(F)cccc1F.
What is the InChIKey of (2,6-difluorophenyl)methylideneurea?
The InChIKey is ZEEFFUSUWCBOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-6-2-1-3-7(10)5(6)4-12-8(11)13/h1-4H,(H2,11,13).
What are the key properties of (2,6-difluorophenyl)methylideneurea?
(2,6-difluorophenyl)methylideneurea has a molecular weight of 184.15 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)methylideneurea is sourced from PubChem (CID 152634177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).