1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene

C14H12F2O3 — CID 580551

IUPAC1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene
SMILESFc1ccc(OCOCOc2ccc(F)cc2)cc1
InChIInChI=1S/C14H12F2O3/c15-11-1-5-13(6-2-11)18-9-17-10-19-14-7-3-12(16)4-8-14/h1-8H,9-10H2
InChIKeyOOGGWASGEZLTDN-UHFFFAOYSA-N
MW266.24 g/mol
LogP3.35
Rot. Bonds6

About 1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene

1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene (PubChem CID 580551) has the molecular formula C14H12F2O3 and a molecular weight of 266.24 g/mol. Its IUPAC name is 1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene
PubChem CID580551
Molecular FormulaC14H12F2O3
Molecular Weight266.24 g/mol
Exact Mass266.08
IUPAC Name1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene
SMILESFc1ccc(OCOCOc2ccc(F)cc2)cc1
InChIInChI=1S/C14H12F2O3/c15-11-1-5-13(6-2-11)18-9-17-10-19-14-7-3-12(16)4-8-14/h1-8H,9-10H2
InChIKeyOOGGWASGEZLTDN-UHFFFAOYSA-N
XLogP3.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(4-fluorophenoxy)methyl dihydrogen phosphate
CID 144610852
ethane;1-ethoxy-4-fluorobenzene
CID 143106824
2-[2-(4-fluorophenoxy)ethoxy]ethanamine
CID 28749658
1-fluoro-4-[2-(4-iodophenoxy)ethoxy]benzene
CID 141496951
3-(4-fluorophenoxy)propylazanium
CID 42036216
1,3-bis(4-fluorophenoxy)propan-2-ol
CID 109412822
N,N-diethyl-2-(4-fluorophenoxy)ethanamine
CID 867210
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
O-[2-(4-fluorophenoxy)ethyl]hydroxylamine;hydrochloride
CID 45158554
2-fluoro-3-(4-fluorophenoxy)propanoic acid
CID 105454089
2-[4-(4-fluorophenyl)phenoxy]ethyloxidanium
CID 163801809
N-chloro-2-(4-fluorophenoxy)ethanamine
CID 118373465

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene?
The IUPAC name of 1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene (CID 580551) is 1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene.
What is the SMILES notation for 1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene?
The canonical SMILES for 1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene is Fc1ccc(OCOCOc2ccc(F)cc2)cc1.
What is the InChIKey of 1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene?
The InChIKey is OOGGWASGEZLTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O3/c15-11-1-5-13(6-2-11)18-9-17-10-19-14-7-3-12(16)4-8-14/h1-8H,9-10H2.
What are the key properties of 1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene?
1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene has a molecular weight of 266.24 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(4-fluorophenoxy)methoxymethoxy]benzene is sourced from PubChem (CID 580551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).