1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene

C20H25F2O3P — CID 87154858

IUPAC1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene
SMILESCCCCP(=O)(OCCc1ccccc1F)OCCc1ccccc1F
InChIInChI=1S/C20H25F2O3P/c1-2-3-16-26(23,24-14-12-17-8-4-6-10-19(17)21)25-15-13-18-9-5-7-11-20(18)22/h4-11H,2-3,12-16H2,1H3
InChIKeyPMAZGCISZYNXBC-UHFFFAOYSA-N
MW382.39 g/mol
LogP5.78
Rot. Bonds11

About 1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene

1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene (PubChem CID 87154858) has the molecular formula C20H25F2O3P and a molecular weight of 382.39 g/mol. Its IUPAC name is 1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene
PubChem CID87154858
Molecular FormulaC20H25F2O3P
Molecular Weight382.39 g/mol
Exact Mass382.15
IUPAC Name1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene
SMILESCCCCP(=O)(OCCc1ccccc1F)OCCc1ccccc1F
InChIInChI=1S/C20H25F2O3P/c1-2-3-16-26(23,24-14-12-17-8-4-6-10-19(17)21)25-15-13-18-9-5-7-11-20(18)22/h4-11H,2-3,12-16H2,1H3
InChIKeyPMAZGCISZYNXBC-UHFFFAOYSA-N
XLogP5.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.39
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-2-(2-pentoxyethyl)benzene
CID 91695654
3-[butyl(octoxy)phosphoryl]oxypropylbenzene
CID 91710244
1-O-butyl 4-O-[2-(2-fluorophenyl)ethyl] butanedioate
CID 91711418
1-fluoro-2-heptylbenzene
CID 20721019
1-[butoxy(butyl)phosphoryl]oxyheptane
CID 88847148
1-[butoxy(butyl)phosphoryl]oxy-4-(2-phenylpropan-2-yl)benzene
CID 91744206
4-O-[2-(2-fluorophenyl)ethyl] 1-O-hexadecyl butanedioate
CID 91711428
1-[butyl(hexoxy)phosphoryl]oxyoctadecane
CID 91716589
1-[butyl(pentoxy)phosphoryl]oxypentadecane
CID 91716553
1-[butyl(hexoxy)phosphoryl]oxyhexadecane
CID 91716578
1-dibutoxyphosphoryloctacosane
CID 141204672
1-[butoxy(phenyl)phosphoryl]-2-fluorobenzene
CID 66796976

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene?
The IUPAC name of 1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene (CID 87154858) is 1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene.
What is the SMILES notation for 1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene?
The canonical SMILES for 1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene is CCCCP(=O)(OCCc1ccccc1F)OCCc1ccccc1F.
What is the InChIKey of 1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene?
The InChIKey is PMAZGCISZYNXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2O3P/c1-2-3-16-26(23,24-14-12-17-8-4-6-10-19(17)21)25-15-13-18-9-5-7-11-20(18)22/h4-11H,2-3,12-16H2,1H3.
What are the key properties of 1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene?
1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene has a molecular weight of 382.39 g/mol, XLogP of 5.78, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butyl-[2-(2-fluorophenyl)ethoxy]phosphoryl]oxyethyl]-2-fluorobenzene is sourced from PubChem (CID 87154858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).