(2-fluorophenyl)methyl-(2-methylpentyl)phosphinic acid

C13H20FO2P — CID 139902943

IUPAC(2-fluorophenyl)methyl-(2-methylpentyl)phosphinic acid
SMILESCCCC(C)CP(=O)(O)Cc1ccccc1F
InChIInChI=1S/C13H20FO2P/c1-3-6-11(2)9-17(15,16)10-12-7-4-5-8-13(12)14/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,15,16)
InChIKeyNTGPHSDEBQTYMN-UHFFFAOYSA-N
MW258.27 g/mol
LogP4.03
Rot. Bonds6

About (2-fluorophenyl)methyl-(2-methylpentyl)phosphinic acid

(2-fluorophenyl)methyl-(2-methylpentyl)phosphinic acid (PubChem CID 139902943) has the molecular formula C13H20FO2P and a molecular weight of 258.27 g/mol. Its IUPAC name is (2-fluorophenyl)methyl-(2-methylpentyl)phosphinic acid.

Molecular Properties

Compound Name(2-fluorophenyl)methyl-(2-methylpentyl)phosphinic acid
PubChem CID139902943
Molecular FormulaC13H20FO2P
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name(2-fluorophenyl)methyl-(2-methylpentyl)phosphinic acid
SMILESCCCC(C)CP(=O)(O)Cc1ccccc1F
InChIInChI=1S/C13H20FO2P/c1-3-6-11(2)9-17(15,16)10-12-7-4-5-8-13(12)14/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,15,16)
InChIKeyNTGPHSDEBQTYMN-UHFFFAOYSA-N
XLogP4.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenyl)methylphosphonic acid
CID 14926086
N-[[methyl(2-methylpentyl)phosphoryl]methyl]benzamide
CID 21338268
3-(aminomethyl)-1-(2-fluorophenyl)hexan-2-one
CID 116574562
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800
N-[(2-fluorophenyl)methyl]-1-phenylbutan-1-amine
CID 17156263
azane;1-ethyl-2-fluorobenzene
CID 66657049
2-[(2-fluorophenyl)methylamino]hexanoic acid
CID 82364371
N-(2-aminopentyl)-2-(2-fluorophenyl)acetamide
CID 115733578
3-[hydroxy(2-methylpentyl)phosphoryl]-2-methylpropanoic acid
CID 54512413
(2-fluorophenyl)methyl (2S)-2-aminopentanoate
CID 107565767
1-(4-chloroheptyl)-2-fluorobenzene
CID 64513555
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl-(2-methylpentyl)phosphinic acid?
The IUPAC name of (2-fluorophenyl)methyl-(2-methylpentyl)phosphinic acid (CID 139902943) is (2-fluorophenyl)methyl-(2-methylpentyl)phosphinic acid.
What is the SMILES notation for (2-fluorophenyl)methyl-(2-methylpentyl)phosphinic acid?
The canonical SMILES for (2-fluorophenyl)methyl-(2-methylpentyl)phosphinic acid is CCCC(C)CP(=O)(O)Cc1ccccc1F.
What is the InChIKey of (2-fluorophenyl)methyl-(2-methylpentyl)phosphinic acid?
The InChIKey is NTGPHSDEBQTYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FO2P/c1-3-6-11(2)9-17(15,16)10-12-7-4-5-8-13(12)14/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,15,16).
What are the key properties of (2-fluorophenyl)methyl-(2-methylpentyl)phosphinic acid?
(2-fluorophenyl)methyl-(2-methylpentyl)phosphinic acid has a molecular weight of 258.27 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl-(2-methylpentyl)phosphinic acid is sourced from PubChem (CID 139902943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).