3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one

C19H13FO — CID 3531094

IUPAC3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1cccc(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C19H13FO/c20-18-7-3-4-14(12-18)8-11-19(21)17-10-9-15-5-1-2-6-16(15)13-17/h1-13H
InChIKeyKTEBAHYCNDJBLW-UHFFFAOYSA-N
MW276.31 g/mol
LogP4.88
Rot. Bonds3

About 3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one

3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one (PubChem CID 3531094) has the molecular formula C19H13FO and a molecular weight of 276.31 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
PubChem CID3531094
Molecular FormulaC19H13FO
Molecular Weight276.31 g/mol
Exact Mass276.10
IUPAC Name3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one
SMILESO=C(C=Cc1cccc(F)c1)c1ccc2ccccc2c1
InChIInChI=1S/C19H13FO/c20-18-7-3-4-14(12-18)8-11-19(21)17-10-9-15-5-1-2-6-16(15)13-17/h1-13H
InChIKeyKTEBAHYCNDJBLW-UHFFFAOYSA-N
XLogP4.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-naphthalen-2-yl-3-[3-(3-naphthalen-2-yl-3-oxoprop-1-enyl)phenyl]prop-2-en-1-one
CID 5009926
(E)-1-naphthalen-2-yl-3-[4-[(E)-3-naphthalen-2-yl-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 10939059
(E)-3-(6-hydroxynaphthalen-2-yl)-1-naphthalen-2-ylprop-2-en-1-one
CID 89077412
1-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-en-1-one
CID 131632623
2-[2-(3-fluorophenyl)ethenyl]naphthalene
CID 68615723
(E)-3-(4-ethylphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 19561296
3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 4149722
(E)-3-(3-fluorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
CID 6021810
(E)-3-(3-chloro-4-hydroxyphenyl)-1-naphthalen-2-ylprop-2-en-1-one
CID 52771858
3-[(E)-3-(3-fluorophenyl)prop-2-enoyl]benzonitrile
CID 52643763
(Z)-1-naphthalen-2-yl-3-(4-propan-2-ylphenyl)prop-2-en-1-one
CID 92908632
(E)-1-naphthalen-2-yl-3-quinoxalin-6-ylprop-2-en-1-one
CID 176900312

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The IUPAC name of 3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one (CID 3531094) is 3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one.
What is the SMILES notation for 3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The canonical SMILES for 3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one is O=C(C=Cc1cccc(F)c1)c1ccc2ccccc2c1.
What is the InChIKey of 3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one?
The InChIKey is KTEBAHYCNDJBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FO/c20-18-7-3-4-14(12-18)8-11-19(21)17-10-9-15-5-1-2-6-16(15)13-17/h1-13H.
What are the key properties of 3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one?
3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one has a molecular weight of 276.31 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-naphthalen-2-ylprop-2-en-1-one is sourced from PubChem (CID 3531094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).