4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene

C14H11ClF2 — CID 79747229

IUPAC4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene
SMILESCc1cc(C(Cl)c2ccccc2F)ccc1F
InChIInChI=1S/C14H11ClF2/c1-9-8-10(6-7-12(9)16)14(15)11-4-2-3-5-13(11)17/h2-8,14H,1H3
InChIKeyZCSZXGRRYCQTTK-UHFFFAOYSA-N
MW252.69 g/mol
LogP4.60
Rot. Bonds2

About 4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene

4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene (PubChem CID 79747229) has the molecular formula C14H11ClF2 and a molecular weight of 252.69 g/mol. Its IUPAC name is 4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene.

Molecular Properties

Compound Name4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene
PubChem CID79747229
Molecular FormulaC14H11ClF2
Molecular Weight252.69 g/mol
Exact Mass252.05
IUPAC Name4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene
SMILESCc1cc(C(Cl)c2ccccc2F)ccc1F
InChIInChI=1S/C14H11ClF2/c1-9-8-10(6-7-12(9)16)14(15)11-4-2-3-5-13(11)17/h2-8,14H,1H3
InChIKeyZCSZXGRRYCQTTK-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.69
LogP ≤ 54.60
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-bromo-4-chloro-1-[chloro-(4-fluoro-3-methylphenyl)methyl]benzene
CID 107992000
1-(4-fluoro-3-methylphenyl)-1-(2-fluorophenyl)propan-2-one
CID 69039789
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene
CID 55200409
1-[chloro-(3-chlorophenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79731389
1-chloro-2-[chloro-(3-chloro-4-methylphenyl)methyl]-5-fluoro-4-methylbenzene
CID 81050182
1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene
CID 63431750
5-[chloro-(2,3-difluorophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65297096
4-[1-chloro-2-(2-fluorophenyl)ethyl]-1-fluoro-2-methylbenzene
CID 63542318
1-[chloro-(3-chloro-4-fluorophenyl)methyl]-4-methylnaphthalene
CID 82876216
1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene
CID 63434008
4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene
CID 79721901

Frequently Asked Questions

What is the IUPAC name of 4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene?
The IUPAC name of 4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene (CID 79747229) is 4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene.
What is the SMILES notation for 4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene?
The canonical SMILES for 4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene is Cc1cc(C(Cl)c2ccccc2F)ccc1F.
What is the InChIKey of 4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene?
The InChIKey is ZCSZXGRRYCQTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF2/c1-9-8-10(6-7-12(9)16)14(15)11-4-2-3-5-13(11)17/h2-8,14H,1H3.
What are the key properties of 4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene?
4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene has a molecular weight of 252.69 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene is sourced from PubChem (CID 79747229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).