N-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide

C6H8F2N3O2PS — CID 18938145

IUPACN-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide
SMILESNP(N)(=O)NC(=O)c1ccc(C(F)F)s1
InChIInChI=1S/C6H8F2N3O2PS/c7-5(8)3-1-2-4(15-3)6(12)11-14(9,10)13/h1-2,5H,(H5,9,10,11,12,13)
InChIKeyDPXAZFUDQXTKOO-UHFFFAOYSA-N
MW255.19 g/mol
LogP1.44
Rot. Bonds3

About N-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide

N-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide (PubChem CID 18938145) has the molecular formula C6H8F2N3O2PS and a molecular weight of 255.19 g/mol. Its IUPAC name is N-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide
PubChem CID18938145
Molecular FormulaC6H8F2N3O2PS
Molecular Weight255.19 g/mol
Exact Mass255.00
IUPAC NameN-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide
SMILESNP(N)(=O)NC(=O)c1ccc(C(F)F)s1
InChIInChI=1S/C6H8F2N3O2PS/c7-5(8)3-1-2-4(15-3)6(12)11-14(9,10)13/h1-2,5H,(H5,9,10,11,12,13)
InChIKeyDPXAZFUDQXTKOO-UHFFFAOYSA-N
XLogP1.44
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.19
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide?
The IUPAC name of N-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide (CID 18938145) is N-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide.
What is the SMILES notation for N-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide?
The canonical SMILES for N-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide is NP(N)(=O)NC(=O)c1ccc(C(F)F)s1.
What is the InChIKey of N-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide?
The InChIKey is DPXAZFUDQXTKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N3O2PS/c7-5(8)3-1-2-4(15-3)6(12)11-14(9,10)13/h1-2,5H,(H5,9,10,11,12,13).
What are the key properties of N-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide?
N-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide has a molecular weight of 255.19 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diaminophosphoryl-5-(difluoromethyl)thiophene-2-carboxamide is sourced from PubChem (CID 18938145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).