1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene

C10H9ClF4O2 — CID 112613725

IUPAC1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene
SMILESFc1cccc(CCl)c1OCCOC(F)(F)F
InChIInChI=1S/C10H9ClF4O2/c11-6-7-2-1-3-8(12)9(7)16-4-5-17-10(13,14)15/h1-3H,4-6H2
InChIKeyRNRYVLKJDYSVJZ-UHFFFAOYSA-N
MW272.62 g/mol
LogP3.48
Rot. Bonds5

About 1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene

1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene (PubChem CID 112613725) has the molecular formula C10H9ClF4O2 and a molecular weight of 272.62 g/mol. Its IUPAC name is 1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene
PubChem CID112613725
Molecular FormulaC10H9ClF4O2
Molecular Weight272.62 g/mol
Exact Mass272.02
IUPAC Name1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene
SMILESFc1cccc(CCl)c1OCCOC(F)(F)F
InChIInChI=1S/C10H9ClF4O2/c11-6-7-2-1-3-8(12)9(7)16-4-5-17-10(13,14)15/h1-3H,4-6H2
InChIKeyRNRYVLKJDYSVJZ-UHFFFAOYSA-N
XLogP3.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.62
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-2-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 112613586
1-(chloromethyl)-3-fluoro-2-nonoxybenzene
CID 112613670
1-(chloromethyl)-3-fluoro-2-octoxybenzene
CID 112613575
1-(chloromethyl)-3-fluoro-2-(3-methoxy-3-methylbutoxy)benzene
CID 103034330
2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]thiophene
CID 112613704
2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene
CID 112613624
[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]methanamine
CID 112607929
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine
CID 112650732
1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene
CID 112613649
2-[2-[2-(chloromethyl)-6-fluorophenoxy]ethyl]oxolane
CID 112613659
1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene
CID 107882644
1-[3-fluoro-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]butan-2-amine
CID 115958815

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene?
The IUPAC name of 1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene (CID 112613725) is 1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene.
What is the SMILES notation for 1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene?
The canonical SMILES for 1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene is Fc1cccc(CCl)c1OCCOC(F)(F)F.
What is the InChIKey of 1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene?
The InChIKey is RNRYVLKJDYSVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4O2/c11-6-7-2-1-3-8(12)9(7)16-4-5-17-10(13,14)15/h1-3H,4-6H2.
What are the key properties of 1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene?
1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene has a molecular weight of 272.62 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-fluoro-2-[2-(trifluoromethoxy)ethoxy]benzene is sourced from PubChem (CID 112613725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).