[[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea

C9H8F3N3O2 — CID 168534079

IUPAC[[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1cc(F)ccc1OC(F)F
InChIInChI=1S/C9H8F3N3O2/c10-6-1-2-7(17-8(11)12)5(3-6)4-14-15-9(13)16/h1-4,8H,(H3,13,15,16)
InChIKeyOHPNQZGXNBNZAI-UHFFFAOYSA-N
MW247.18 g/mol
LogP1.43
Rot. Bonds4

About [[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea

[[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea (PubChem CID 168534079) has the molecular formula C9H8F3N3O2 and a molecular weight of 247.18 g/mol. Its IUPAC name is [[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea
PubChem CID168534079
Molecular FormulaC9H8F3N3O2
Molecular Weight247.18 g/mol
Exact Mass247.06
IUPAC Name[[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea
SMILESNC(=O)NN=Cc1cc(F)ccc1OC(F)F
InChIInChI=1S/C9H8F3N3O2/c10-6-1-2-7(17-8(11)12)5(3-6)4-14-15-9(13)16/h1-4,8H,(H3,13,15,16)
InChIKeyOHPNQZGXNBNZAI-UHFFFAOYSA-N
XLogP1.43
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-[3-(difluoromethoxy)-4-methoxyphenyl]methylideneamino]urea
CID 9017274
(NE)-N-[[2-(difluoromethoxy)-5-fluorophenyl]methylidene]hydroxylamine
CID 122163966
[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea
CID 103942661
4-amino-N-[(Z)-[5-bromo-2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 9070685
[[2-(bromomethyl)-4-fluorophenyl]methylideneamino]urea
CID 168533953
(E)-3-[2-(difluoromethoxy)-5-fluorophenyl]prop-2-enoic acid
CID 103693996
[[3-fluoro-4-(4-fluorophenoxy)phenyl]methylideneamino]urea
CID 54483879
[[2-[(4-chlorophenyl)methoxy]-4-fluorophenyl]methylideneamino]urea
CID 168532167
N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide
CID 3325601
[[4-fluoro-2-(2-phenylethynyl)phenyl]methylideneamino]urea
CID 168533519
4-chloro-N-[[2-(difluoromethoxy)phenyl]methylideneamino]benzamide
CID 2691883
[[2,3-difluoro-4-(trifluoromethoxy)phenyl]methylideneamino]urea
CID 168533631

Frequently Asked Questions

What is the IUPAC name of [[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea?
The IUPAC name of [[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea (CID 168534079) is [[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea.
What is the SMILES notation for [[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea?
The canonical SMILES for [[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea is NC(=O)NN=Cc1cc(F)ccc1OC(F)F.
What is the InChIKey of [[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea?
The InChIKey is OHPNQZGXNBNZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2/c10-6-1-2-7(17-8(11)12)5(3-6)4-14-15-9(13)16/h1-4,8H,(H3,13,15,16).
What are the key properties of [[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea?
[[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea has a molecular weight of 247.18 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(difluoromethoxy)-5-fluorophenyl]methylideneamino]urea is sourced from PubChem (CID 168534079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).