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

C14H9Cl2F3 — CID 134619724

IUPAC2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2ccc(CCl)cc2Cl)cc1
InChIInChI=1S/C14H9Cl2F3/c15-8-9-1-6-12(13(16)7-9)10-2-4-11(5-3-10)14(17,18)19/h1-7H,8H2
InChIKeyJRMLGNMETLBKAA-UHFFFAOYSA-N
MW305.13 g/mol
LogP5.76
Rot. Bonds2

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

2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 134619724) has the molecular formula C14H9Cl2F3 and a molecular weight of 305.13 g/mol. Its IUPAC name is 2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene
PubChem CID134619724
Molecular FormulaC14H9Cl2F3
Molecular Weight305.13 g/mol
Exact Mass304.00
IUPAC Name2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene
SMILESFC(F)(F)c1ccc(-c2ccc(CCl)cc2Cl)cc1
InChIInChI=1S/C14H9Cl2F3/c15-8-9-1-6-12(13(16)7-9)10-2-4-11(5-3-10)14(17,18)19/h1-7H,8H2
InChIKeyJRMLGNMETLBKAA-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

2,4-dichloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 54501466
[4-chloro-3-[4-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631582
2-chloro-4-(chloromethyl)-1-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 63536063
3-chloro-4-[4-(trifluoromethyl)phenyl]benzoic acid
CID 79018068
2-chloro-1-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 118999105
2-chloro-4-(sulfamoylamino)-1-[4-(trifluoromethyl)phenyl]benzene
CID 11428075
2-chloro-1,3-difluoro-4-[4-(trifluoromethyl)phenyl]benzene
CID 134625909
4-(chloromethyl)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 134617600
2-(chloromethyl)-1-(4-fluorophenyl)-4-(trifluoromethyl)benzene
CID 46313326
1-[5-chloro-2-[4-(trifluoromethyl)phenyl]phenyl]-N-methylmethanamine
CID 66159705
2-(bromomethyl)-4-chloro-1-[4-(trifluoromethyl)phenyl]benzene
CID 134619443
2,4-dichloro-1-[2-(chloromethyl)-4-(trifluoromethyl)phenyl]benzene
CID 134619859

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene (CID 134619724) is 2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene is FC(F)(F)c1ccc(-c2ccc(CCl)cc2Cl)cc1.
What is the InChIKey of 2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is JRMLGNMETLBKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F3/c15-8-9-1-6-12(13(16)7-9)10-2-4-11(5-3-10)14(17,18)19/h1-7H,8H2.
What are the key properties of 2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene?
2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]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 2-chloro-4-(chloromethyl)-1-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134619724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).