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

C14H9ClF4 — CID 94297138

IUPAC4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene
SMILESFc1ccc(CCl)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9ClF4/c15-8-9-5-6-13(16)11(7-9)10-3-1-2-4-12(10)14(17,18)19/h1-7H,8H2
InChIKeyMBPRBSZWJFNGNK-UHFFFAOYSA-N
MW288.67 g/mol
LogP5.25
Rot. Bonds2

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

4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 94297138) has the molecular formula C14H9ClF4 and a molecular weight of 288.67 g/mol. Its IUPAC name is 4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene
PubChem CID94297138
Molecular FormulaC14H9ClF4
Molecular Weight288.67 g/mol
Exact Mass288.03
IUPAC Name4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene
SMILESFc1ccc(CCl)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H9ClF4/c15-8-9-5-6-13(16)11(7-9)10-3-1-2-4-12(10)14(17,18)19/h1-7H,8H2
InChIKeyMBPRBSZWJFNGNK-UHFFFAOYSA-N
XLogP5.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.67
LogP ≤ 55.25
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

N-[[4-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
CID 62801471
4-fluoro-3-[2-(trifluoromethyl)phenyl]aniline
CID 112694389
4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 118816855
4-(chloromethyl)-2-[2-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)benzene
CID 134629903
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
1,2,3,4-tetrafluoro-5-[2-(trifluoromethyl)phenyl]benzene
CID 134617391
1,2,4-trichloro-5-[5-(chloromethyl)-2-fluorophenyl]benzene
CID 134629936
4-(chloromethyl)-1-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]benzene
CID 134617600
4-chloro-2-[2-(trifluoromethyl)phenyl]benzenethiol
CID 151006940
2-(chloromethyl)-4-(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134627746
4,5-difluoro-2-[2-(trifluoromethyl)phenyl]phenol
CID 118823457
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene (CID 94297138) is 4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene is Fc1ccc(CCl)cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is MBPRBSZWJFNGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4/c15-8-9-5-6-13(16)11(7-9)10-3-1-2-4-12(10)14(17,18)19/h1-7H,8H2.
What are the key properties of 4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene?
4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene has a molecular weight of 288.67 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-fluoro-2-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 94297138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).