1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene

C14H9Cl2F3 — CID 22326912

IUPAC1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)ccc1CCl
InChIInChI=1S/C14H9Cl2F3/c15-8-11-2-1-10(7-13(11)14(17,18)19)9-3-5-12(16)6-4-9/h1-7H,8H2
InChIKeyDDMVJYGBWVQLDZ-UHFFFAOYSA-N
MW305.13 g/mol
LogP5.76
Rot. Bonds2

About 1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene

1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene (PubChem CID 22326912) has the molecular formula C14H9Cl2F3 and a molecular weight of 305.13 g/mol. Its IUPAC name is 1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene
PubChem CID22326912
Molecular FormulaC14H9Cl2F3
Molecular Weight305.13 g/mol
Exact Mass304.00
IUPAC Name1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cc(-c2ccc(Cl)cc2)ccc1CCl
InChIInChI=1S/C14H9Cl2F3/c15-8-11-2-1-10(7-13(11)14(17,18)19)9-3-5-12(16)6-4-9/h1-7H,8H2
InChIKeyDDMVJYGBWVQLDZ-UHFFFAOYSA-N
XLogP5.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.13
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(chloromethyl)-4-(3-fluorophenyl)-2-(trifluoromethyl)benzene
CID 46313337
4-(4-chlorophenyl)-1-isocyano-2-(trifluoromethyl)benzene
CID 20824741
4-chloro-1-(chloromethyl)-2-(tribromomethyl)benzene
CID 18443836
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 45156540
ethane;1-ethyl-4-phenyl-2-(trifluoromethyl)benzene
CID 177219455
4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 118816855
2-chloro-1-(chloromethyl)-4-[3-(trifluoromethyl)phenyl]benzene
CID 134626202
2-[2-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]phenyl]acetonitrile
CID 134623086
1-(chloromethyl)-2,3-difluoro-4-(trifluoromethyl)benzene
CID 121234690
4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 125457222
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
4-[3,4-bis(chloromethyl)phenyl]-1,2-bis(chloromethyl)benzene
CID 151301065

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene (CID 22326912) is 1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene is FC(F)(F)c1cc(-c2ccc(Cl)cc2)ccc1CCl.
What is the InChIKey of 1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene?
The InChIKey is DDMVJYGBWVQLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3/c15-8-11-2-1-10(7-13(11)14(17,18)19)9-3-5-12(16)6-4-9/h1-7H,8H2.
What are the key properties of 1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene?
1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene has a molecular weight of 305.13 g/mol, XLogP of 5.76, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene is sourced from PubChem (CID 22326912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).