2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene

C15H11Cl2F3O — CID 63536063

IUPAC2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene
SMILESFC(F)(F)c1ccc(COc2ccc(CCl)cc2Cl)cc1
InChIInChI=1S/C15H11Cl2F3O/c16-8-11-3-6-14(13(17)7-11)21-9-10-1-4-12(5-2-10)15(18,19)20/h1-7H,8-9H2
InChIKeyMASHZSXYUYEFTB-UHFFFAOYSA-N
MW335.15 g/mol
LogP5.68
Rot. Bonds4

About 2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene

2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene (PubChem CID 63536063) has the molecular formula C15H11Cl2F3O and a molecular weight of 335.15 g/mol. Its IUPAC name is 2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene
PubChem CID63536063
Molecular FormulaC15H11Cl2F3O
Molecular Weight335.15 g/mol
Exact Mass334.01
IUPAC Name2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene
SMILESFC(F)(F)c1ccc(COc2ccc(CCl)cc2Cl)cc1
InChIInChI=1S/C15H11Cl2F3O/c16-8-11-3-6-14(13(17)7-11)21-9-10-1-4-12(5-2-10)15(18,19)20/h1-7H,8-9H2
InChIKeyMASHZSXYUYEFTB-UHFFFAOYSA-N
XLogP5.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.15
LogP ≤ 55.68
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

N-[[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 59768534
2-chloro-1-[(4-fluorophenyl)methoxy]-4-(trifluoromethyl)benzene
CID 91658261
2-chloro-4-(chloromethyl)-1-[(4-methylphenyl)methoxy]benzene
CID 63535207
4-chloro-3-[[4-(trifluoromethyl)phenyl]methoxy]phenol
CID 142618666
2-chloro-4-(chloromethyl)-1-(2,2,2-trifluoroethoxymethoxy)benzene
CID 106705244
[3-chloro-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methanamine
CID 61389023
2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619724
[3-bromo-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methanol
CID 63051638
2-[[2-chloro-4-(chloromethyl)phenoxy]methyl]pyrimidine
CID 62697877
2-chloro-4-fluoro-1-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 25235984
3-[3-chloro-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-1H-imidazo[4,5-c]pyridin-2-one
CID 162572401
N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]-4-(trifluoromethyl)aniline
CID 110841957

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene?
The IUPAC name of 2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene (CID 63536063) is 2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene.
What is the SMILES notation for 2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene?
The canonical SMILES for 2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene is FC(F)(F)c1ccc(COc2ccc(CCl)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene?
The InChIKey is MASHZSXYUYEFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2F3O/c16-8-11-3-6-14(13(17)7-11)21-9-10-1-4-12(5-2-10)15(18,19)20/h1-7H,8-9H2.
What are the key properties of 2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene?
2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene has a molecular weight of 335.15 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene is sourced from PubChem (CID 63536063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).