1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene

C14H11ClF2O — CID 107888398

IUPAC1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene
SMILESCc1ccc(F)cc1OCc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11ClF2O/c1-9-2-4-11(16)7-14(9)18-8-10-3-5-12(15)13(17)6-10/h2-7H,8H2,1H3
InChIKeyZVMHUEVWTVBAIY-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.51
Rot. Bonds3

About 1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene

1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene (PubChem CID 107888398) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is 1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene.

Molecular Properties

Compound Name1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene
PubChem CID107888398
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene
SMILESCc1ccc(F)cc1OCc1ccc(Cl)c(F)c1
InChIInChI=1S/C14H11ClF2O/c1-9-2-4-11(16)7-14(9)18-8-10-3-5-12(15)13(17)6-10/h2-7H,8H2,1H3
InChIKeyZVMHUEVWTVBAIY-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.69
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]-N-methylmethanamine
CID 107879997
3-[(4-chloro-3-fluorophenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107881722
1-[2-[(4-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]-N-methylethanamine
CID 107879395
2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986660
1-chloro-4-[(3,5-dimethylphenoxy)methyl]-2-fluorobenzene
CID 107888358
3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-ol
CID 107885336
3-[2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluorophenyl]prop-2-yn-1-amine
CID 107885421
5-[(5-chloro-2-methylphenoxy)methyl]-2-fluorobenzonitrile
CID 114012400
N-[[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]methyl]propan-2-amine
CID 102986333
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]boronic acid
CID 107882716
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanol
CID 107882261
[2-[(4-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]methanamine
CID 107878670

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene?
The IUPAC name of 1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene (CID 107888398) is 1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene.
What is the SMILES notation for 1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene?
The canonical SMILES for 1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene is Cc1ccc(F)cc1OCc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene?
The InChIKey is ZVMHUEVWTVBAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c1-9-2-4-11(16)7-14(9)18-8-10-3-5-12(15)13(17)6-10/h2-7H,8H2,1H3.
What are the key properties of 1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene?
1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene has a molecular weight of 268.69 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-fluoro-4-[(5-fluoro-2-methylphenoxy)methyl]benzene is sourced from PubChem (CID 107888398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).