2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene

C14H10ClF3 — CID 63431490

IUPAC2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene
SMILESCc1ccc(F)cc1C(Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10ClF3/c1-8-2-4-10(16)7-11(8)14(15)9-3-5-12(17)13(18)6-9/h2-7,14H,1H3
InChIKeyJOSCGUGRCPSPOV-UHFFFAOYSA-N
MW270.68 g/mol
LogP4.74
Rot. Bonds2

About 2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene

2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene (PubChem CID 63431490) has the molecular formula C14H10ClF3 and a molecular weight of 270.68 g/mol. Its IUPAC name is 2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene.

Molecular Properties

Compound Name2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene
PubChem CID63431490
Molecular FormulaC14H10ClF3
Molecular Weight270.68 g/mol
Exact Mass270.04
IUPAC Name2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene
SMILESCc1ccc(F)cc1C(Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C14H10ClF3/c1-8-2-4-10(16)7-11(8)14(15)9-3-5-12(17)13(18)6-9/h2-7,14H,1H3
InChIKeyJOSCGUGRCPSPOV-UHFFFAOYSA-N
XLogP4.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.68
LogP ≤ 54.74
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-[chloro-(3-fluoro-4-methylphenyl)methyl]-2,4-difluorobenzene
CID 63434008
1-bromo-2-[chloro-(3,4-difluorophenyl)methyl]-4-fluorobenzene
CID 55200230
4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
2,4-dichloro-1-[chloro-(5-fluoro-2-methylphenyl)methyl]benzene
CID 55198991
1-[chloro-(3,4-difluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 61085061
1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene
CID 63431750
2-[chloro-(4-ethoxyphenyl)methyl]-4-fluoro-1-methylbenzene
CID 63429360
1-[chloro-(5-fluoro-2-methylphenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429790
1-[chloro-(5-chloro-2-methylphenyl)methyl]-2,4-difluorobenzene
CID 82890318
(4-chlorophenyl)-(5-fluoro-2-methylphenyl)methanol
CID 55133948
4-chloro-2-[chloro-(4-chlorophenyl)methyl]-1-methylbenzene
CID 82891392
3-[chloro-(3,4-difluorophenyl)methyl]-2,5-dimethylfuran
CID 61084772

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene?
The IUPAC name of 2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene (CID 63431490) is 2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene.
What is the SMILES notation for 2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene?
The canonical SMILES for 2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene is Cc1ccc(F)cc1C(Cl)c1ccc(F)c(F)c1.
What is the InChIKey of 2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene?
The InChIKey is JOSCGUGRCPSPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3/c1-8-2-4-10(16)7-11(8)14(15)9-3-5-12(17)13(18)6-9/h2-7,14H,1H3.
What are the key properties of 2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene?
2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene has a molecular weight of 270.68 g/mol, XLogP of 4.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(3,4-difluorophenyl)methyl]-4-fluoro-1-methylbenzene is sourced from PubChem (CID 63431490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).