2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene

C14H9ClF4 — CID 55200409

IUPAC2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene
SMILESCc1cc(C(Cl)c2c(F)cc(F)cc2F)ccc1F
InChIInChI=1S/C14H9ClF4/c1-7-4-8(2-3-10(7)17)14(15)13-11(18)5-9(16)6-12(13)19/h2-6,14H,1H3
InChIKeyZGNMIMLJFJOHDO-UHFFFAOYSA-N
MW288.67 g/mol
LogP4.88
Rot. Bonds2

About 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene

2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene (PubChem CID 55200409) has the molecular formula C14H9ClF4 and a molecular weight of 288.67 g/mol. Its IUPAC name is 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene.

Molecular Properties

Compound Name2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene
PubChem CID55200409
Molecular FormulaC14H9ClF4
Molecular Weight288.67 g/mol
Exact Mass288.03
IUPAC Name2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene
SMILESCc1cc(C(Cl)c2c(F)cc(F)cc2F)ccc1F
InChIInChI=1S/C14H9ClF4/c1-7-4-8(2-3-10(7)17)14(15)13-11(18)5-9(16)6-12(13)19/h2-6,14H,1H3
InChIKeyZGNMIMLJFJOHDO-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.67
LogP ≤ 54.88
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

4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
2-[(4-tert-butylphenyl)-chloromethyl]-1,3,5-trifluorobenzene
CID 63430007
4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747229
4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene
CID 79721901
2-[chloro-(4-fluoro-3-methoxyphenyl)methyl]-5-fluoro-1,3-dimethylbenzene
CID 106879803
2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-1,3,5-trifluorobenzene
CID 63429962
2-[chloro-(4-methylsulfonylphenyl)methyl]-1,3,5-trifluorobenzene
CID 61084333
1-[chloro-(3,4-difluorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429317
2-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene
CID 107992000
2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764820
4-[chloro-(4-methylsulfonylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747561
4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 55199662

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene?
The IUPAC name of 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene (CID 55200409) is 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene.
What is the SMILES notation for 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene?
The canonical SMILES for 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene is Cc1cc(C(Cl)c2c(F)cc(F)cc2F)ccc1F.
What is the InChIKey of 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene?
The InChIKey is ZGNMIMLJFJOHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4/c1-7-4-8(2-3-10(7)17)14(15)13-11(18)5-9(16)6-12(13)19/h2-6,14H,1H3.
What are the key properties of 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene?
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene has a molecular weight of 288.67 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene is sourced from PubChem (CID 55200409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).