N-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide

C8H7F3NOP — CID 143608068

IUPACN-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1cc(C(F)(F)F)ccc1P
InChIInChI=1S/C8H7F3NOP/c9-8(10,11)5-1-2-7(14)6(3-5)12-4-13/h1-4H,14H2,(H,12,13)
InChIKeyFARHFNMJBFMOAF-UHFFFAOYSA-N
MW221.12 g/mol
LogP1.77
Rot. Bonds2

About N-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide

N-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide (PubChem CID 143608068) has the molecular formula C8H7F3NOP and a molecular weight of 221.12 g/mol. Its IUPAC name is N-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide.

Molecular Properties

Compound NameN-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide
PubChem CID143608068
Molecular FormulaC8H7F3NOP
Molecular Weight221.12 g/mol
Exact Mass221.02
IUPAC NameN-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide
SMILESO=CNc1cc(C(F)(F)F)ccc1P
InChIInChI=1S/C8H7F3NOP/c9-8(10,11)5-1-2-7(14)6(3-5)12-4-13/h1-4H,14H2,(H,12,13)
InChIKeyFARHFNMJBFMOAF-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide?
The IUPAC name of N-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide (CID 143608068) is N-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide.
What is the SMILES notation for N-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide?
The canonical SMILES for N-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide is O=CNc1cc(C(F)(F)F)ccc1P.
What is the InChIKey of N-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide?
The InChIKey is FARHFNMJBFMOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3NOP/c9-8(10,11)5-1-2-7(14)6(3-5)12-4-13/h1-4H,14H2,(H,12,13).
What are the key properties of N-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide?
N-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide has a molecular weight of 221.12 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phosphanyl-5-(trifluoromethyl)phenyl]formamide is sourced from PubChem (CID 143608068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).