2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene

C14H12F2O2 — CID 60628032

IUPAC2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
SMILESCOc1ccc(COc2cccc(F)c2)cc1F
InChIInChI=1S/C14H12F2O2/c1-17-14-6-5-10(7-13(14)16)9-18-12-4-2-3-11(15)8-12/h2-8H,9H2,1H3
InChIKeyBBHCUGZQZGUKSM-UHFFFAOYSA-N
MW250.24 g/mol
LogP3.55
Rot. Bonds4

About 2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene

2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene (PubChem CID 60628032) has the molecular formula C14H12F2O2 and a molecular weight of 250.24 g/mol. Its IUPAC name is 2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
PubChem CID60628032
Molecular FormulaC14H12F2O2
Molecular Weight250.24 g/mol
Exact Mass250.08
IUPAC Name2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
SMILESCOc1ccc(COc2cccc(F)c2)cc1F
InChIInChI=1S/C14H12F2O2/c1-17-14-6-5-10(7-13(14)16)9-18-12-4-2-3-11(15)8-12/h2-8H,9H2,1H3
InChIKeyBBHCUGZQZGUKSM-UHFFFAOYSA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.24
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-1-methoxy-4-[(3-methylphenoxy)methyl]benzene
CID 60627922
2-fluoro-1-methoxy-4-(phenoxymethyl)benzene
CID 60627904
4-[(3-bromophenoxy)methyl]-2-fluoro-1-methoxybenzene
CID 43089834
5-[(3-fluorophenoxy)methyl]-2-methoxybenzonitrile
CID 65344295
4-[(3-fluoro-4-methoxyphenyl)methoxy]aniline
CID 43154828
1-bromo-4-[(3-fluoro-4-methoxyphenyl)methoxy]-2-methylbenzene
CID 83133800
3-fluoro-5-[(3-fluorophenoxy)methyl]-2-methoxyaniline
CID 166073795
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
(1R)-1-[2-fluoro-4-[(3-fluoro-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 107720216
4-[(3-fluorophenoxy)methyl]benzene-1,2-diol
CID 117220383
2-bromo-3-[(3-fluoro-4-methoxyphenyl)methoxy]pyridine
CID 62047655
4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
CID 28946582

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene?
The IUPAC name of 2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene (CID 60628032) is 2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene.
What is the SMILES notation for 2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene?
The canonical SMILES for 2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene is COc1ccc(COc2cccc(F)c2)cc1F.
What is the InChIKey of 2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene?
The InChIKey is BBHCUGZQZGUKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2/c1-17-14-6-5-10(7-13(14)16)9-18-12-4-2-3-11(15)8-12/h2-8H,9H2,1H3.
What are the key properties of 2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene?
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene has a molecular weight of 250.24 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene is sourced from PubChem (CID 60628032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).