N-(2-butyl-4-fluoro-6-phosphanylphenyl)formamide

C11H15FNOP — CID 142375264

IUPACN-(2-butyl-4-fluoro-6-phosphanylphenyl)formamide
SMILESCCCCc1cc(F)cc(P)c1NC=O
InChIInChI=1S/C11H15FNOP/c1-2-3-4-8-5-9(12)6-10(15)11(8)13-7-14/h5-7H,2-4,15H2,1H3,(H,13,14)
InChIKeyILBPEZCRMNLHGU-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.24
Rot. Bonds5

About N-(2-butyl-4-fluoro-6-phosphanylphenyl)formamide

N-(2-butyl-4-fluoro-6-phosphanylphenyl)formamide (PubChem CID 142375264) has the molecular formula C11H15FNOP and a molecular weight of 227.22 g/mol. Its IUPAC name is N-(2-butyl-4-fluoro-6-phosphanylphenyl)formamide.

Molecular Properties

Compound NameN-(2-butyl-4-fluoro-6-phosphanylphenyl)formamide
PubChem CID142375264
Molecular FormulaC11H15FNOP
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC NameN-(2-butyl-4-fluoro-6-phosphanylphenyl)formamide
SMILESCCCCc1cc(F)cc(P)c1NC=O
InChIInChI=1S/C11H15FNOP/c1-2-3-4-8-5-9(12)6-10(15)11(8)13-7-14/h5-7H,2-4,15H2,1H3,(H,13,14)
InChIKeyILBPEZCRMNLHGU-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.24
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-butyl-4-fluoro-6-phosphanylphenyl)formamide?
The IUPAC name of N-(2-butyl-4-fluoro-6-phosphanylphenyl)formamide (CID 142375264) is N-(2-butyl-4-fluoro-6-phosphanylphenyl)formamide.
What is the SMILES notation for N-(2-butyl-4-fluoro-6-phosphanylphenyl)formamide?
The canonical SMILES for N-(2-butyl-4-fluoro-6-phosphanylphenyl)formamide is CCCCc1cc(F)cc(P)c1NC=O.
What is the InChIKey of N-(2-butyl-4-fluoro-6-phosphanylphenyl)formamide?
The InChIKey is ILBPEZCRMNLHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FNOP/c1-2-3-4-8-5-9(12)6-10(15)11(8)13-7-14/h5-7H,2-4,15H2,1H3,(H,13,14).
What are the key properties of N-(2-butyl-4-fluoro-6-phosphanylphenyl)formamide?
N-(2-butyl-4-fluoro-6-phosphanylphenyl)formamide has a molecular weight of 227.22 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butyl-4-fluoro-6-phosphanylphenyl)formamide is sourced from PubChem (CID 142375264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).