3-chloro-1-fluoro-2,7-dimethylnaphthalene

C12H10ClF — CID 146207185

IUPAC3-chloro-1-fluoro-2,7-dimethylnaphthalene
SMILESCc1ccc2cc(Cl)c(C)c(F)c2c1
InChIInChI=1S/C12H10ClF/c1-7-3-4-9-6-11(13)8(2)12(14)10(9)5-7/h3-6H,1-2H3
InChIKeyHPAHNSQZUDGTQV-UHFFFAOYSA-N
MW208.66 g/mol
LogP4.25
Rot. Bonds

About 3-chloro-1-fluoro-2,7-dimethylnaphthalene

3-chloro-1-fluoro-2,7-dimethylnaphthalene (PubChem CID 146207185) has the molecular formula C12H10ClF and a molecular weight of 208.66 g/mol. Its IUPAC name is 3-chloro-1-fluoro-2,7-dimethylnaphthalene.

Molecular Properties

Compound Name3-chloro-1-fluoro-2,7-dimethylnaphthalene
PubChem CID146207185
Molecular FormulaC12H10ClF
Molecular Weight208.66 g/mol
Exact Mass208.05
IUPAC Name3-chloro-1-fluoro-2,7-dimethylnaphthalene
SMILESCc1ccc2cc(Cl)c(C)c(F)c2c1
InChIInChI=1S/C12H10ClF/c1-7-3-4-9-6-11(13)8(2)12(14)10(9)5-7/h3-6H,1-2H3
InChIKeyHPAHNSQZUDGTQV-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.66
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-fluoro-2,7-dimethylnaphthalene?
The IUPAC name of 3-chloro-1-fluoro-2,7-dimethylnaphthalene (CID 146207185) is 3-chloro-1-fluoro-2,7-dimethylnaphthalene.
What is the SMILES notation for 3-chloro-1-fluoro-2,7-dimethylnaphthalene?
The canonical SMILES for 3-chloro-1-fluoro-2,7-dimethylnaphthalene is Cc1ccc2cc(Cl)c(C)c(F)c2c1.
What is the InChIKey of 3-chloro-1-fluoro-2,7-dimethylnaphthalene?
The InChIKey is HPAHNSQZUDGTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF/c1-7-3-4-9-6-11(13)8(2)12(14)10(9)5-7/h3-6H,1-2H3.
What are the key properties of 3-chloro-1-fluoro-2,7-dimethylnaphthalene?
3-chloro-1-fluoro-2,7-dimethylnaphthalene has a molecular weight of 208.66 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-fluoro-2,7-dimethylnaphthalene is sourced from PubChem (CID 146207185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).