(3,5-difluorophenyl)cyanamide

C7H4F2N2 — CID 62482864

IUPAC(3,5-difluorophenyl)cyanamide
SMILESN#CNc1cc(F)cc(F)c1
InChIInChI=1S/C7H4F2N2/c8-5-1-6(9)3-7(2-5)11-4-10/h1-3,11H
InChIKeySCADSLATWRMKSK-UHFFFAOYSA-N
MW154.12 g/mol
LogP1.86
Rot. Bonds1

About (3,5-difluorophenyl)cyanamide

(3,5-difluorophenyl)cyanamide (PubChem CID 62482864) has the molecular formula C7H4F2N2 and a molecular weight of 154.12 g/mol. Its IUPAC name is (3,5-difluorophenyl)cyanamide.

Molecular Properties

Compound Name(3,5-difluorophenyl)cyanamide
PubChem CID62482864
Molecular FormulaC7H4F2N2
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name(3,5-difluorophenyl)cyanamide
SMILESN#CNc1cc(F)cc(F)c1
InChIInChI=1S/C7H4F2N2/c8-5-1-6(9)3-7(2-5)11-4-10/h1-3,11H
InChIKeySCADSLATWRMKSK-UHFFFAOYSA-N
XLogP1.86
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

4-Fluorophenylurea
CID 12612
2,4-Difluoroaniline
CID 9709
4-Fluoro-N-methylaniline
CID 68024
3,5-Difluoroaniline
CID 96595
(2,4-Difluorophenyl)thiourea
CID 2734207
4-Fluorophenylthiourea
CID 693061
(3-Fluorophenyl)thiourea
CID 2734799
3,4-Difluoroaniline
CID 77469
2,3,4-Trifluorophenylthiourea
CID 2777971
p-Phenylenediamine, 2,6-difluoro-
CID 96596
(2-Fluorophenyl)urea
CID 12606
2,4,5-Trifluoroaniline
CID 94953

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)cyanamide?
The IUPAC name of (3,5-difluorophenyl)cyanamide (CID 62482864) is (3,5-difluorophenyl)cyanamide.
What is the SMILES notation for (3,5-difluorophenyl)cyanamide?
The canonical SMILES for (3,5-difluorophenyl)cyanamide is N#CNc1cc(F)cc(F)c1.
What is the InChIKey of (3,5-difluorophenyl)cyanamide?
The InChIKey is SCADSLATWRMKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2/c8-5-1-6(9)3-7(2-5)11-4-10/h1-3,11H.
What are the key properties of (3,5-difluorophenyl)cyanamide?
(3,5-difluorophenyl)cyanamide has a molecular weight of 154.12 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)cyanamide is sourced from PubChem (CID 62482864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).