1,5-bis(2-fluorophenyl)pentan-3-one

C17H16F2O — CID 70057472

IUPAC1,5-bis(2-fluorophenyl)pentan-3-one
SMILESO=C(CCc1ccccc1F)CCc1ccccc1F
InChIInChI=1S/C17H16F2O/c18-16-7-3-1-5-13(16)9-11-15(20)12-10-14-6-2-4-8-17(14)19/h1-8H,9-12H2
InChIKeyGRUGSXUSXRUPST-UHFFFAOYSA-N
MW274.31 g/mol
LogP4.10
Rot. Bonds6

About 1,5-bis(2-fluorophenyl)pentan-3-one

1,5-bis(2-fluorophenyl)pentan-3-one (PubChem CID 70057472) has the molecular formula C17H16F2O and a molecular weight of 274.31 g/mol. Its IUPAC name is 1,5-bis(2-fluorophenyl)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(2-fluorophenyl)pentan-3-one
PubChem CID70057472
Molecular FormulaC17H16F2O
Molecular Weight274.31 g/mol
Exact Mass274.12
IUPAC Name1,5-bis(2-fluorophenyl)pentan-3-one
SMILESO=C(CCc1ccccc1F)CCc1ccccc1F
InChIInChI=1S/C17H16F2O/c18-16-7-3-1-5-13(16)9-11-15(20)12-10-14-6-2-4-8-17(14)19/h1-8H,9-12H2
InChIKeyGRUGSXUSXRUPST-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 94133800
3-(2-fluorophenyl)-N-(2-methylphenyl)propanamide
CID 9394717
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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(2-fluorophenyl)pentan-3-one?
The IUPAC name of 1,5-bis(2-fluorophenyl)pentan-3-one (CID 70057472) is 1,5-bis(2-fluorophenyl)pentan-3-one.
What is the SMILES notation for 1,5-bis(2-fluorophenyl)pentan-3-one?
The canonical SMILES for 1,5-bis(2-fluorophenyl)pentan-3-one is O=C(CCc1ccccc1F)CCc1ccccc1F.
What is the InChIKey of 1,5-bis(2-fluorophenyl)pentan-3-one?
The InChIKey is GRUGSXUSXRUPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2O/c18-16-7-3-1-5-13(16)9-11-15(20)12-10-14-6-2-4-8-17(14)19/h1-8H,9-12H2.
What are the key properties of 1,5-bis(2-fluorophenyl)pentan-3-one?
1,5-bis(2-fluorophenyl)pentan-3-one has a molecular weight of 274.31 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(2-fluorophenyl)pentan-3-one is sourced from PubChem (CID 70057472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).