7-chloro-1-fluoro-3-methylnaphthalene

C11H8ClF — CID 58839538

IUPAC7-chloro-1-fluoro-3-methylnaphthalene
SMILESCc1cc(F)c2cc(Cl)ccc2c1
InChIInChI=1S/C11H8ClF/c1-7-4-8-2-3-9(12)6-10(8)11(13)5-7/h2-6H,1H3
InChIKeyCEJHHMJYSUCYMN-UHFFFAOYSA-N
MW194.64 g/mol
LogP3.94
Rot. Bonds

About 7-chloro-1-fluoro-3-methylnaphthalene

7-chloro-1-fluoro-3-methylnaphthalene (PubChem CID 58839538) has the molecular formula C11H8ClF and a molecular weight of 194.64 g/mol. Its IUPAC name is 7-chloro-1-fluoro-3-methylnaphthalene.

Molecular Properties

Compound Name7-chloro-1-fluoro-3-methylnaphthalene
PubChem CID58839538
Molecular FormulaC11H8ClF
Molecular Weight194.64 g/mol
Exact Mass194.03
IUPAC Name7-chloro-1-fluoro-3-methylnaphthalene
SMILESCc1cc(F)c2cc(Cl)ccc2c1
InChIInChI=1S/C11H8ClF/c1-7-4-8-2-3-9(12)6-10(8)11(13)5-7/h2-6H,1H3
InChIKeyCEJHHMJYSUCYMN-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.64
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-fluoro-3-methylnaphthalene?
The IUPAC name of 7-chloro-1-fluoro-3-methylnaphthalene (CID 58839538) is 7-chloro-1-fluoro-3-methylnaphthalene.
What is the SMILES notation for 7-chloro-1-fluoro-3-methylnaphthalene?
The canonical SMILES for 7-chloro-1-fluoro-3-methylnaphthalene is Cc1cc(F)c2cc(Cl)ccc2c1.
What is the InChIKey of 7-chloro-1-fluoro-3-methylnaphthalene?
The InChIKey is CEJHHMJYSUCYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF/c1-7-4-8-2-3-9(12)6-10(8)11(13)5-7/h2-6H,1H3.
What are the key properties of 7-chloro-1-fluoro-3-methylnaphthalene?
7-chloro-1-fluoro-3-methylnaphthalene has a molecular weight of 194.64 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-fluoro-3-methylnaphthalene is sourced from PubChem (CID 58839538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).