5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene

C16H22ClF — CID 66476187

IUPAC5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C(Cl)C2C(C)(C)C2(C)C)cc(C)c1F
InChIInChI=1S/C16H22ClF/c1-9-7-11(8-10(2)13(9)18)12(17)14-15(3,4)16(14,5)6/h7-8,12,14H,1-6H3
InChIKeyZFEGNKPFXIZKOS-UHFFFAOYSA-N
MW268.80 g/mol
LogP5.40
Rot. Bonds2

About 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene

5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene (PubChem CID 66476187) has the molecular formula C16H22ClF and a molecular weight of 268.80 g/mol. Its IUPAC name is 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene
PubChem CID66476187
Molecular FormulaC16H22ClF
Molecular Weight268.80 g/mol
Exact Mass268.14
IUPAC Name5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(C(Cl)C2C(C)(C)C2(C)C)cc(C)c1F
InChIInChI=1S/C16H22ClF/c1-9-7-11(8-10(2)13(9)18)12(17)14-15(3,4)16(14,5)6/h7-8,12,14H,1-6H3
InChIKeyZFEGNKPFXIZKOS-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.80
LogP ≤ 55.40
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

5-[chloro(cyclopentyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65297249
5-[chloro(cyclohexyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296894
5-[chloro-(3,5-dibromophenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 107980953
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-5-methyloxolane
CID 81327195
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 65297293
(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanol
CID 107002536
(2,2-dimethylcyclopropyl)-(4-fluoro-3,5-dimethylphenyl)methanamine
CID 107001276
2-chloro-5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-3-methylthiophene
CID 102764774
4-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-2-iodothiophene
CID 79684320
2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-1,3-difluoro-4-methylbenzene
CID 82816267
5-[bromo-(2-methylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296959
5-[(4-bromo-3-chlorophenyl)-chloromethyl]-2-fluoro-1,3-dimethylbenzene
CID 81308101

Frequently Asked Questions

What is the IUPAC name of 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The IUPAC name of 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene (CID 66476187) is 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene is Cc1cc(C(Cl)C2C(C)(C)C2(C)C)cc(C)c1F.
What is the InChIKey of 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene?
The InChIKey is ZFEGNKPFXIZKOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClF/c1-9-7-11(8-10(2)13(9)18)12(17)14-15(3,4)16(14,5)6/h7-8,12,14H,1-6H3.
What are the key properties of 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene?
5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene has a molecular weight of 268.80 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro-(2,2,3,3-tetramethylcyclopropyl)methyl]-2-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 66476187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).