4-(2-fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one

C16H17FO2 — CID 131995255

IUPAC4-(2-fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one
SMILESCC(=O)C(c1ccccc1)C(C)(O)C1C=CC=C1F
InChIInChI=1S/C16H17FO2/c1-11(18)15(12-7-4-3-5-8-12)16(2,19)13-9-6-10-14(13)17/h3-10,13,15,19H,1-2H3
InChIKeyIDJNMMPMTHTEPI-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.15
Rot. Bonds4

About 4-(2-fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one

4-(2-fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one (PubChem CID 131995255) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-(2-fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one.

Molecular Properties

Compound Name4-(2-fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one
PubChem CID131995255
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name4-(2-fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one
SMILESCC(=O)C(c1ccccc1)C(C)(O)C1C=CC=C1F
InChIInChI=1S/C16H17FO2/c1-11(18)15(12-7-4-3-5-8-12)16(2,19)13-9-6-10-14(13)17/h3-10,13,15,19H,1-2H3
InChIKeyIDJNMMPMTHTEPI-UHFFFAOYSA-N
XLogP3.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one?
The IUPAC name of 4-(2-fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one (CID 131995255) is 4-(2-fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one.
What is the SMILES notation for 4-(2-fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one?
The canonical SMILES for 4-(2-fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one is CC(=O)C(c1ccccc1)C(C)(O)C1C=CC=C1F.
What is the InChIKey of 4-(2-fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one?
The InChIKey is IDJNMMPMTHTEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-11(18)15(12-7-4-3-5-8-12)16(2,19)13-9-6-10-14(13)17/h3-10,13,15,19H,1-2H3.
What are the key properties of 4-(2-fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one?
4-(2-fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one has a molecular weight of 260.31 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorocyclopenta-2,4-dien-1-yl)-4-hydroxy-3-phenylpentan-2-one is sourced from PubChem (CID 131995255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).