4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene

C12H12ClF — CID 142833104

IUPAC4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene
SMILESCc1cc2c(cc1F)CC(C)C=C2Cl
InChIInChI=1S/C12H12ClF/c1-7-3-9-6-12(14)8(2)5-10(9)11(13)4-7/h4-7H,3H2,1-2H3
InChIKeyZMFJWRDYCDYGCE-UHFFFAOYSA-N
MW210.68 g/mol
LogP3.91
Rot. Bonds

About 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene

4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene (PubChem CID 142833104) has the molecular formula C12H12ClF and a molecular weight of 210.68 g/mol. Its IUPAC name is 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene
PubChem CID142833104
Molecular FormulaC12H12ClF
Molecular Weight210.68 g/mol
Exact Mass210.06
IUPAC Name4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene
SMILESCc1cc2c(cc1F)CC(C)C=C2Cl
InChIInChI=1S/C12H12ClF/c1-7-3-9-6-12(14)8(2)5-10(9)11(13)4-7/h4-7H,3H2,1-2H3
InChIKeyZMFJWRDYCDYGCE-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.68
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3,4-Dihydrocadalene
CID 528708
2,5-Bis(chloromethyl)-p-xylene
CID 80530
4,6-Bis(chloromethyl)-m-xylene
CID 220296
Benzene, 2-(chloromethyl)-1,4-dimethyl-
CID 69987
2,4-Dimethylbenzyl chloride
CID 69989
alpha-Corocalene
CID 5316074
2,4,6-Trimethylbenzyl chloride
CID 74108
3-(Chloromethyl)-1,2,4,5-tetramethylbenzene
CID 81939
2,4-Bis(chloromethyl)-1,3,5-trimethylbenzene
CID 137095
3,4-Dimethylbenzyl chloride
CID 66018
1,5,7-Trimethyltetralin
CID 529436
1-Chloromethyl-4-methylnaphthalene
CID 138443

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene?
The IUPAC name of 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene (CID 142833104) is 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene.
What is the SMILES notation for 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene?
The canonical SMILES for 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene is Cc1cc2c(cc1F)CC(C)C=C2Cl.
What is the InChIKey of 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene?
The InChIKey is ZMFJWRDYCDYGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF/c1-7-3-9-6-12(14)8(2)5-10(9)11(13)4-7/h4-7H,3H2,1-2H3.
What are the key properties of 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene?
4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene has a molecular weight of 210.68 g/mol, XLogP of 3.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-fluoro-2,6-dimethyl-1,2-dihydronaphthalene is sourced from PubChem (CID 142833104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).