1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene

C14H11ClF2O — CID 114065580

IUPAC1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene
SMILESCc1cccc(Oc2cccc(F)c2CCl)c1F
InChIInChI=1S/C14H11ClF2O/c1-9-4-2-7-13(14(9)17)18-12-6-3-5-11(16)10(12)8-15/h2-7H,8H2,1H3
InChIKeyKMRQFTZFHDRFTH-UHFFFAOYSA-N
MW268.69 g/mol
LogP4.80
Rot. Bonds3

About 1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene

1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene (PubChem CID 114065580) has the molecular formula C14H11ClF2O and a molecular weight of 268.69 g/mol. Its IUPAC name is 1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene.

Molecular Properties

Compound Name1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene
PubChem CID114065580
Molecular FormulaC14H11ClF2O
Molecular Weight268.69 g/mol
Exact Mass268.05
IUPAC Name1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene
SMILESCc1cccc(Oc2cccc(F)c2CCl)c1F
InChIInChI=1S/C14H11ClF2O/c1-9-4-2-7-13(14(9)17)18-12-6-3-5-11(16)10(12)8-15/h2-7H,8H2,1H3
InChIKeyKMRQFTZFHDRFTH-UHFFFAOYSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(chloromethyl)-3-fluorophenoxy]-2-ethyl-6-methylpyridine
CID 114065574
(1R)-1-[2-fluoro-6-(2-fluoro-3-methylphenoxy)phenyl]ethanamine
CID 107658794
4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene
CID 63565705
chloromethane;2-fluoro-1,3-dimethylbenzene
CID 144572529
1-chloro-2-(chloromethyl)-3-(2-fluoro-5-methylphenoxy)benzene
CID 64853464
2-(3-chloropropyl)-1-fluoro-3-methylbenzene
CID 118802920
1-ethoxy-2-fluoro-3-methylbenzene
CID 59732440
1,2-difluoro-3-[(2-fluoro-3-methylphenoxy)methyl]benzene
CID 107661926
1-[3-fluoro-4-(2-fluoro-3-methylphenoxy)phenyl]propan-2-amine
CID 107661710
N-[[2-(2-fluoro-3-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 107659667
(1R)-1-[2-(2-fluoro-3-methylphenoxy)phenyl]propan-1-amine
CID 107658799
[2-(2,5-dimethylphenoxy)-6-fluorophenyl]methanamine
CID 79516549

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene?
The IUPAC name of 1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene (CID 114065580) is 1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene.
What is the SMILES notation for 1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene?
The canonical SMILES for 1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene is Cc1cccc(Oc2cccc(F)c2CCl)c1F.
What is the InChIKey of 1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene?
The InChIKey is KMRQFTZFHDRFTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2O/c1-9-4-2-7-13(14(9)17)18-12-6-3-5-11(16)10(12)8-15/h2-7H,8H2,1H3.
What are the key properties of 1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene?
1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene has a molecular weight of 268.69 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)-3-fluorophenoxy]-2-fluoro-3-methylbenzene is sourced from PubChem (CID 114065580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).