(4E,6E)-2,2-difluoro-3-hydroxy-1-naphthalen-2-ylocta-4,6-dien-1-one

C18H16F2O2 — CID 53261132

IUPAC(4E,6E)-2,2-difluoro-3-hydroxy-1-naphthalen-2-ylocta-4,6-dien-1-one
SMILESC/C=C/C=C/C(O)C(F)(F)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H16F2O2/c1-2-3-4-9-16(21)18(19,20)17(22)15-11-10-13-7-5-6-8-14(13)12-15/h2-12,16,21H,1H3/b3-2+,9-4+
InChIKeyRDQJTUFGMYWNCJ-DSXPNFDZSA-N
MW302.32 g/mol
LogP4.15
Rot. Bonds5

About (4E,6E)-2,2-difluoro-3-hydroxy-1-naphthalen-2-ylocta-4,6-dien-1-one

(4E,6E)-2,2-difluoro-3-hydroxy-1-naphthalen-2-ylocta-4,6-dien-1-one (PubChem CID 53261132) has the molecular formula C18H16F2O2 and a molecular weight of 302.32 g/mol. Its IUPAC name is (4E,6E)-2,2-difluoro-3-hydroxy-1-naphthalen-2-ylocta-4,6-dien-1-one.

Molecular Properties

Compound Name(4E,6E)-2,2-difluoro-3-hydroxy-1-naphthalen-2-ylocta-4,6-dien-1-one
PubChem CID53261132
Molecular FormulaC18H16F2O2
Molecular Weight302.32 g/mol
Exact Mass302.11
IUPAC Name(4E,6E)-2,2-difluoro-3-hydroxy-1-naphthalen-2-ylocta-4,6-dien-1-one
SMILESC/C=C/C=C/C(O)C(F)(F)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C18H16F2O2/c1-2-3-4-9-16(21)18(19,20)17(22)15-11-10-13-7-5-6-8-14(13)12-15/h2-12,16,21H,1H3/b3-2+,9-4+
InChIKeyRDQJTUFGMYWNCJ-DSXPNFDZSA-N
XLogP4.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,6E)-2,2-difluoro-3-hydroxy-1-naphthalen-2-ylocta-4,6-dien-1-one?
The IUPAC name of (4E,6E)-2,2-difluoro-3-hydroxy-1-naphthalen-2-ylocta-4,6-dien-1-one (CID 53261132) is (4E,6E)-2,2-difluoro-3-hydroxy-1-naphthalen-2-ylocta-4,6-dien-1-one.
What is the SMILES notation for (4E,6E)-2,2-difluoro-3-hydroxy-1-naphthalen-2-ylocta-4,6-dien-1-one?
The canonical SMILES for (4E,6E)-2,2-difluoro-3-hydroxy-1-naphthalen-2-ylocta-4,6-dien-1-one is C/C=C/C=C/C(O)C(F)(F)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of (4E,6E)-2,2-difluoro-3-hydroxy-1-naphthalen-2-ylocta-4,6-dien-1-one?
The InChIKey is RDQJTUFGMYWNCJ-DSXPNFDZSA-N. The full InChI is InChI=1S/C18H16F2O2/c1-2-3-4-9-16(21)18(19,20)17(22)15-11-10-13-7-5-6-8-14(13)12-15/h2-12,16,21H,1H3/b3-2+,9-4+.
What are the key properties of (4E,6E)-2,2-difluoro-3-hydroxy-1-naphthalen-2-ylocta-4,6-dien-1-one?
(4E,6E)-2,2-difluoro-3-hydroxy-1-naphthalen-2-ylocta-4,6-dien-1-one has a molecular weight of 302.32 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,6E)-2,2-difluoro-3-hydroxy-1-naphthalen-2-ylocta-4,6-dien-1-one is sourced from PubChem (CID 53261132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).