[(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium

C12H10FNO3P+ — CID 169171155

IUPAC[(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium
SMILESNC(=O)c1ccc2ccc(C(F)[P+](=O)O)cc2c1
InChIInChI=1S/C12H9FNO3P/c13-11(18(16)17)8-3-1-7-2-4-9(12(14)15)6-10(7)5-8/h1-6,11H,(H2-,14,15,16,17)/p+1
InChIKeyZCPFLPHBSGDQAY-UHFFFAOYSA-O
MW266.19 g/mol
LogP2.64
Rot. Bonds3

About [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium

[(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium (PubChem CID 169171155) has the molecular formula C12H10FNO3P+ and a molecular weight of 266.19 g/mol. Its IUPAC name is [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium
PubChem CID169171155
Molecular FormulaC12H10FNO3P+
Molecular Weight266.19 g/mol
Exact Mass266.04
IUPAC Name[(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium
SMILESNC(=O)c1ccc2ccc(C(F)[P+](=O)O)cc2c1
InChIInChI=1S/C12H9FNO3P/c13-11(18(16)17)8-3-1-7-2-4-9(12(14)15)6-10(7)5-8/h1-6,11H,(H2-,14,15,16,17)/p+1
InChIKeyZCPFLPHBSGDQAY-UHFFFAOYSA-O
XLogP2.64
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.19
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(7-carbamoylnaphthalen-2-yl)-fluoromethyl]phosphanyloxymethyl 2,2-dimethylpropanoate
CID 169170523
6-[bromo(methoxy)methyl]naphthalene-2-carboxamide
CID 91429905
tetracene-2-carboxamide;hydrobromide
CID 22400124
2-N-[3-(trifluoromethyl)phenyl]naphthalene-2,7-dicarboxamide
CID 68648982
2-(7-carbamimidoylnaphthalen-2-yl)propanoic acid
CID 140981325
4-(1-naphthalen-2-ylethylamino)benzamide
CID 43824500
3,4-bis(fluoromethyl)benzamide
CID 90892252
4-(4-amino-3-naphthalen-2-yl-2-oxobutyl)-3-methoxybenzamide
CID 157435592
3-methoxynaphthalene-2,7-dicarboxamide
CID 23118701
3-hydroxynaphthalene-2,7-dicarboxamide;propane
CID 91265869
2-methylaniline;naphthalene-2-carboxamide
CID 67824326
isoquinoline-6-carboxamide;hydrochloride
CID 143697890

Frequently Asked Questions

What is the IUPAC name of [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium?
The IUPAC name of [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium (CID 169171155) is [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium.
What is the SMILES notation for [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium?
The canonical SMILES for [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium is NC(=O)c1ccc2ccc(C(F)[P+](=O)O)cc2c1.
What is the InChIKey of [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium?
The InChIKey is ZCPFLPHBSGDQAY-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H9FNO3P/c13-11(18(16)17)8-3-1-7-2-4-9(12(14)15)6-10(7)5-8/h1-6,11H,(H2-,14,15,16,17)/p+1.
What are the key properties of [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium?
[(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium has a molecular weight of 266.19 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7-carbamoylnaphthalen-2-yl)-fluoromethyl]-hydroxy-oxophosphanium is sourced from PubChem (CID 169171155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).