N-diaminophosphoryl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide

C7H9F3N3O3P — CID 18938043

IUPACN-diaminophosphoryl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)NP(N)(N)=O)c(C(F)(F)F)o1
InChIInChI=1S/C7H9F3N3O3P/c1-3-2-4(5(16-3)7(8,9)10)6(14)13-17(11,12)15/h2H,1H3,(H5,11,12,13,14,15)
InChIKeyRFOVBASWEJACHH-UHFFFAOYSA-N
MW271.14 g/mol
LogP1.36
Rot. Bonds2

About N-diaminophosphoryl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide

N-diaminophosphoryl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide (PubChem CID 18938043) has the molecular formula C7H9F3N3O3P and a molecular weight of 271.14 g/mol. Its IUPAC name is N-diaminophosphoryl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide.

Molecular Properties

Compound NameN-diaminophosphoryl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
PubChem CID18938043
Molecular FormulaC7H9F3N3O3P
Molecular Weight271.14 g/mol
Exact Mass271.03
IUPAC NameN-diaminophosphoryl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide
SMILESCc1cc(C(=O)NP(N)(N)=O)c(C(F)(F)F)o1
InChIInChI=1S/C7H9F3N3O3P/c1-3-2-4(5(16-3)7(8,9)10)6(14)13-17(11,12)15/h2H,1H3,(H5,11,12,13,14,15)
InChIKeyRFOVBASWEJACHH-UHFFFAOYSA-N
XLogP1.36
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(Tert-butyl)-2-methyl-3-furamide
CID 704149
2,5-Dimethylfuran-3-carbohydrazide
CID 2360209
5-Methyl-2-(trifluoromethyl)furan-3-carboxamide
CID 2775640
2,5-Dimethylfuran-3,4-dicarboxamide
CID 650496
2-Methyl-5-(2-methylpropyl)furan-3-carboxamide
CID 674000
2-Methyl-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 176126392
2,5-Dimethyl-3-furamide
CID 4559414
5-(Chloromethyl)-2-(trifluoromethyl)furan-3-carboxamide
CID 132471668
2-Methylfuran-3-carboxamide
CID 10772974
[5-Methyl-2-(trifluoromethyl)-3-furyl]methylamine
CID 2779900
N-Isopropyl-2-(trifluoromethyl)-5-methylfuran-3-carboxamide
CID 11107302
5-methyl-N-(1-methylcyclopropyl)-2-(trifluoromethyl)furan-3-carboxamide
CID 18712099

Frequently Asked Questions

What is the IUPAC name of N-diaminophosphoryl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
The IUPAC name of N-diaminophosphoryl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide (CID 18938043) is N-diaminophosphoryl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide.
What is the SMILES notation for N-diaminophosphoryl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
The canonical SMILES for N-diaminophosphoryl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide is Cc1cc(C(=O)NP(N)(N)=O)c(C(F)(F)F)o1.
What is the InChIKey of N-diaminophosphoryl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
The InChIKey is RFOVBASWEJACHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N3O3P/c1-3-2-4(5(16-3)7(8,9)10)6(14)13-17(11,12)15/h2H,1H3,(H5,11,12,13,14,15).
What are the key properties of N-diaminophosphoryl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide?
N-diaminophosphoryl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide has a molecular weight of 271.14 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphoryl-5-methyl-2-(trifluoromethyl)furan-3-carboxamide is sourced from PubChem (CID 18938043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).