[4-(6-aminohexylcarbamoyl)-2-(fluoromethyl)phenyl] dihydrogen phosphite

C14H22FN2O4P — CID 144904980

IUPAC[4-(6-aminohexylcarbamoyl)-2-(fluoromethyl)phenyl] dihydrogen phosphite
SMILESNCCCCCCNC(=O)c1ccc(OP(O)O)c(CF)c1
InChIInChI=1S/C14H22FN2O4P/c15-10-12-9-11(5-6-13(12)21-22(19)20)14(18)17-8-4-2-1-3-7-16/h5-6,9,19-20H,1-4,7-8,10,16H2,(H,17,18)
InChIKeyUFTNJKBQEMDXKG-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.00
Rot. Bonds10

About [4-(6-aminohexylcarbamoyl)-2-(fluoromethyl)phenyl] dihydrogen phosphite

[4-(6-aminohexylcarbamoyl)-2-(fluoromethyl)phenyl] dihydrogen phosphite (PubChem CID 144904980) has the molecular formula C14H22FN2O4P and a molecular weight of 332.31 g/mol. Its IUPAC name is [4-(6-aminohexylcarbamoyl)-2-(fluoromethyl)phenyl] dihydrogen phosphite.

Molecular Properties

Compound Name[4-(6-aminohexylcarbamoyl)-2-(fluoromethyl)phenyl] dihydrogen phosphite
PubChem CID144904980
Molecular FormulaC14H22FN2O4P
Molecular Weight332.31 g/mol
Exact Mass332.13
IUPAC Name[4-(6-aminohexylcarbamoyl)-2-(fluoromethyl)phenyl] dihydrogen phosphite
SMILESNCCCCCCNC(=O)c1ccc(OP(O)O)c(CF)c1
InChIInChI=1S/C14H22FN2O4P/c15-10-12-9-11(5-6-13(12)21-22(19)20)14(18)17-8-4-2-1-3-7-16/h5-6,9,19-20H,1-4,7-8,10,16H2,(H,17,18)
InChIKeyUFTNJKBQEMDXKG-UHFFFAOYSA-N
XLogP2.00
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(6-aminohexylcarbamoyl)-2-(fluoromethyl)phenyl] dihydrogen phosphite?
The IUPAC name of [4-(6-aminohexylcarbamoyl)-2-(fluoromethyl)phenyl] dihydrogen phosphite (CID 144904980) is [4-(6-aminohexylcarbamoyl)-2-(fluoromethyl)phenyl] dihydrogen phosphite.
What is the SMILES notation for [4-(6-aminohexylcarbamoyl)-2-(fluoromethyl)phenyl] dihydrogen phosphite?
The canonical SMILES for [4-(6-aminohexylcarbamoyl)-2-(fluoromethyl)phenyl] dihydrogen phosphite is NCCCCCCNC(=O)c1ccc(OP(O)O)c(CF)c1.
What is the InChIKey of [4-(6-aminohexylcarbamoyl)-2-(fluoromethyl)phenyl] dihydrogen phosphite?
The InChIKey is UFTNJKBQEMDXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN2O4P/c15-10-12-9-11(5-6-13(12)21-22(19)20)14(18)17-8-4-2-1-3-7-16/h5-6,9,19-20H,1-4,7-8,10,16H2,(H,17,18).
What are the key properties of [4-(6-aminohexylcarbamoyl)-2-(fluoromethyl)phenyl] dihydrogen phosphite?
[4-(6-aminohexylcarbamoyl)-2-(fluoromethyl)phenyl] dihydrogen phosphite has a molecular weight of 332.31 g/mol, XLogP of 2.00, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-aminohexylcarbamoyl)-2-(fluoromethyl)phenyl] dihydrogen phosphite is sourced from PubChem (CID 144904980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).