2,6-difluoronaphthalen-1-ol;prop-2-enoic acid

C13H10F2O3 — CID 175546672

IUPAC2,6-difluoronaphthalen-1-ol;prop-2-enoic acid
SMILESC=CC(=O)O.Oc1c(F)ccc2cc(F)ccc12
InChIInChI=1S/C10H6F2O.C3H4O2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13;1-2-3(4)5/h1-5,13H;2H,1H2,(H,4,5)
InChIKeyHHVXGQQECUOWOI-UHFFFAOYSA-N
MW252.22 g/mol
LogP3.08
Rot. Bonds1

About 2,6-difluoronaphthalen-1-ol;prop-2-enoic acid

2,6-difluoronaphthalen-1-ol;prop-2-enoic acid (PubChem CID 175546672) has the molecular formula C13H10F2O3 and a molecular weight of 252.22 g/mol. Its IUPAC name is 2,6-difluoronaphthalen-1-ol;prop-2-enoic acid.

Molecular Properties

Compound Name2,6-difluoronaphthalen-1-ol;prop-2-enoic acid
PubChem CID175546672
Molecular FormulaC13H10F2O3
Molecular Weight252.22 g/mol
Exact Mass252.06
IUPAC Name2,6-difluoronaphthalen-1-ol;prop-2-enoic acid
SMILESC=CC(=O)O.Oc1c(F)ccc2cc(F)ccc12
InChIInChI=1S/C10H6F2O.C3H4O2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13;1-2-3(4)5/h1-5,13H;2H,1H2,(H,4,5)
InChIKeyHHVXGQQECUOWOI-UHFFFAOYSA-N
XLogP3.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(7-fluorophenanthren-2-yl)prop-2-enoic acid
CID 54156492
6-fluoro-1-methylnaphthalene-2-carboxylic acid
CID 115023270
7-fluoro-1,3-dihydroxynaphthalene-2-carboxylic acid
CID 164534500
acetic acid;2-fluoronaphthalene
CID 174506324
phenanthrene;prop-2-enoic acid
CID 88600118
1,3,7-trifluorophenanthrene
CID 123732969
benzene-1,3-diol;hexakis(prop-2-enoic acid)
CID 158588762
3,5-difluoro-2-hydroxybenzaldehyde;2,4-difluorophenol
CID 159523746
tris(prop-2-enoic acid);3,4,5-trihydroxybenzoic acid
CID 175712674
bis(prop-2-enoic acid);hydrochloride
CID 88811054
(E)-4-(2,5-difluorophenyl)-4-oxobut-2-enoic acid
CID 10703736
N-(2,4-difluorophenyl)prop-2-enamide
CID 23202681

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoronaphthalen-1-ol;prop-2-enoic acid?
The IUPAC name of 2,6-difluoronaphthalen-1-ol;prop-2-enoic acid (CID 175546672) is 2,6-difluoronaphthalen-1-ol;prop-2-enoic acid.
What is the SMILES notation for 2,6-difluoronaphthalen-1-ol;prop-2-enoic acid?
The canonical SMILES for 2,6-difluoronaphthalen-1-ol;prop-2-enoic acid is C=CC(=O)O.Oc1c(F)ccc2cc(F)ccc12.
What is the InChIKey of 2,6-difluoronaphthalen-1-ol;prop-2-enoic acid?
The InChIKey is HHVXGQQECUOWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2O.C3H4O2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13;1-2-3(4)5/h1-5,13H;2H,1H2,(H,4,5).
What are the key properties of 2,6-difluoronaphthalen-1-ol;prop-2-enoic acid?
2,6-difluoronaphthalen-1-ol;prop-2-enoic acid has a molecular weight of 252.22 g/mol, XLogP of 3.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoronaphthalen-1-ol;prop-2-enoic acid is sourced from PubChem (CID 175546672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).