5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride

C12H14Cl3FO — CID 175801280

IUPAC5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride
SMILESCCc1c(F)ccc2cc(O)ccc12.Cl.Cl.Cl
InChIInChI=1S/C12H11FO.3ClH/c1-2-10-11-5-4-9(14)7-8(11)3-6-12(10)13;;;/h3-7,14H,2H2,1H3;3*1H
InChIKeyICXBRMNNEYWQOX-UHFFFAOYSA-N
MW299.60 g/mol
LogP4.51
Rot. Bonds1

About 5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride

5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride (PubChem CID 175801280) has the molecular formula C12H14Cl3FO and a molecular weight of 299.60 g/mol. Its IUPAC name is 5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride.

Molecular Properties

Compound Name5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride
PubChem CID175801280
Molecular FormulaC12H14Cl3FO
Molecular Weight299.60 g/mol
Exact Mass298.01
IUPAC Name5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride
SMILESCCc1c(F)ccc2cc(O)ccc12.Cl.Cl.Cl
InChIInChI=1S/C12H11FO.3ClH/c1-2-10-11-5-4-9(14)7-8(11)3-6-12(10)13;;;/h3-7,14H,2H2,1H3;3*1H
InChIKeyICXBRMNNEYWQOX-UHFFFAOYSA-N
XLogP4.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.60
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride?
The IUPAC name of 5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride (CID 175801280) is 5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride.
What is the SMILES notation for 5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride?
The canonical SMILES for 5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride is CCc1c(F)ccc2cc(O)ccc12.Cl.Cl.Cl.
What is the InChIKey of 5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride?
The InChIKey is ICXBRMNNEYWQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO.3ClH/c1-2-10-11-5-4-9(14)7-8(11)3-6-12(10)13;;;/h3-7,14H,2H2,1H3;3*1H.
What are the key properties of 5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride?
5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride has a molecular weight of 299.60 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-fluoronaphthalen-2-ol;trihydrochloride is sourced from PubChem (CID 175801280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).