6-chloro-7-fluoro-3-methylnaphthalen-1-ol

C11H8ClFO — CID 67126148

IUPAC6-chloro-7-fluoro-3-methylnaphthalen-1-ol
SMILESCc1cc(O)c2cc(F)c(Cl)cc2c1
InChIInChI=1S/C11H8ClFO/c1-6-2-7-4-9(12)10(13)5-8(7)11(14)3-6/h2-5,14H,1H3
InChIKeyCDSIPDRCZDACMS-UHFFFAOYSA-N
MW210.63 g/mol
LogP3.65
Rot. Bonds

About 6-chloro-7-fluoro-3-methylnaphthalen-1-ol

6-chloro-7-fluoro-3-methylnaphthalen-1-ol (PubChem CID 67126148) has the molecular formula C11H8ClFO and a molecular weight of 210.63 g/mol. Its IUPAC name is 6-chloro-7-fluoro-3-methylnaphthalen-1-ol.

Molecular Properties

Compound Name6-chloro-7-fluoro-3-methylnaphthalen-1-ol
PubChem CID67126148
Molecular FormulaC11H8ClFO
Molecular Weight210.63 g/mol
Exact Mass210.02
IUPAC Name6-chloro-7-fluoro-3-methylnaphthalen-1-ol
SMILESCc1cc(O)c2cc(F)c(Cl)cc2c1
InChIInChI=1S/C11H8ClFO/c1-6-2-7-4-9(12)10(13)5-8(7)11(14)3-6/h2-5,14H,1H3
InChIKeyCDSIPDRCZDACMS-UHFFFAOYSA-N
XLogP3.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.63
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-fluoro-3-methylnaphthalen-1-ol?
The IUPAC name of 6-chloro-7-fluoro-3-methylnaphthalen-1-ol (CID 67126148) is 6-chloro-7-fluoro-3-methylnaphthalen-1-ol.
What is the SMILES notation for 6-chloro-7-fluoro-3-methylnaphthalen-1-ol?
The canonical SMILES for 6-chloro-7-fluoro-3-methylnaphthalen-1-ol is Cc1cc(O)c2cc(F)c(Cl)cc2c1.
What is the InChIKey of 6-chloro-7-fluoro-3-methylnaphthalen-1-ol?
The InChIKey is CDSIPDRCZDACMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFO/c1-6-2-7-4-9(12)10(13)5-8(7)11(14)3-6/h2-5,14H,1H3.
What are the key properties of 6-chloro-7-fluoro-3-methylnaphthalen-1-ol?
6-chloro-7-fluoro-3-methylnaphthalen-1-ol has a molecular weight of 210.63 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-fluoro-3-methylnaphthalen-1-ol is sourced from PubChem (CID 67126148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).