5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid)

C14H9ClF6O5 — CID 175889277

IUPAC5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.Oc1ccc2c(Cl)cccc2c1
InChIInChI=1S/C10H7ClO.2C2HF3O2/c11-10-3-1-2-7-6-8(12)4-5-9(7)10;2*3-2(4,5)1(6)7/h1-6,12H;2*(H,6,7)
InChIKeyGRIVDHKJCHQBTE-UHFFFAOYSA-N
MW406.66 g/mol
LogP4.47
Rot. Bonds

About 5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid)

5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid) (PubChem CID 175889277) has the molecular formula C14H9ClF6O5 and a molecular weight of 406.66 g/mol. Its IUPAC name is 5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid)
PubChem CID175889277
Molecular FormulaC14H9ClF6O5
Molecular Weight406.66 g/mol
Exact Mass406.00
IUPAC Name5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid)
SMILESO=C(O)C(F)(F)F.O=C(O)C(F)(F)F.Oc1ccc2c(Cl)cccc2c1
InChIInChI=1S/C10H7ClO.2C2HF3O2/c11-10-3-1-2-7-6-8(12)4-5-9(7)10;2*3-2(4,5)1(6)7/h1-6,12H;2*(H,6,7)
InChIKeyGRIVDHKJCHQBTE-UHFFFAOYSA-N
XLogP4.47
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.66
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid) (CID 175889277) is 5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid) is O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.Oc1ccc2c(Cl)cccc2c1.
What is the InChIKey of 5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is GRIVDHKJCHQBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO.2C2HF3O2/c11-10-3-1-2-7-6-8(12)4-5-9(7)10;2*3-2(4,5)1(6)7/h1-6,12H;2*(H,6,7).
What are the key properties of 5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid)?
5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 406.66 g/mol, XLogP of 4.47, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloronaphthalen-2-ol;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 175889277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).