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

C15H9ClF6O — CID 134629903

IUPAC4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
SMILESFC(F)(F)Oc1ccccc1-c1cc(CCl)ccc1C(F)(F)F
InChIInChI=1S/C15H9ClF6O/c16-8-9-5-6-12(14(17,18)19)11(7-9)10-3-1-2-4-13(10)23-15(20,21)22/h1-7H,8H2
InChIKeyUSCGWFKBIIKTHD-UHFFFAOYSA-N
MW354.68 g/mol
LogP6.01
Rot. Bonds3

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

4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene (PubChem CID 134629903) has the molecular formula C15H9ClF6O and a molecular weight of 354.68 g/mol. Its IUPAC name is 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
PubChem CID134629903
Molecular FormulaC15H9ClF6O
Molecular Weight354.68 g/mol
Exact Mass354.02
IUPAC Name4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
SMILESFC(F)(F)Oc1ccccc1-c1cc(CCl)ccc1C(F)(F)F
InChIInChI=1S/C15H9ClF6O/c16-8-9-5-6-12(14(17,18)19)11(7-9)10-3-1-2-4-13(10)23-15(20,21)22/h1-7H,8H2
InChIKeyUSCGWFKBIIKTHD-UHFFFAOYSA-N
XLogP6.01
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.68
LogP ≤ 56.01
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

4-(chloromethyl)-2-fluoro-1-[2-(trifluoromethoxy)phenyl]benzene
CID 134628055
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 94297138
2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol
CID 134620434
4-(chloromethyl)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 134617600
1-(chloromethyl)-2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118850748
6-[2-(trifluoromethoxy)phenyl]-2,3-bis(trifluoromethyl)pyridine
CID 134617611
1,2,4-trichloro-3-[5-(chloromethyl)-2-(trifluoromethyl)phenyl]benzene
CID 134628722
4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene
CID 63567308
4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 118805901
[2-[2-(trifluoromethoxy)phenyl]phenyl]azanium
CID 147037666

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene?
The IUPAC name of 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene (CID 134629903) is 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene?
The canonical SMILES for 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene is FC(F)(F)Oc1ccccc1-c1cc(CCl)ccc1C(F)(F)F.
What is the InChIKey of 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene?
The InChIKey is USCGWFKBIIKTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF6O/c16-8-9-5-6-12(14(17,18)19)11(7-9)10-3-1-2-4-13(10)23-15(20,21)22/h1-7H,8H2.
What are the key properties of 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene?
4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene has a molecular weight of 354.68 g/mol, XLogP of 6.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene is sourced from PubChem (CID 134629903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).