2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone

C21H14F2O — CID 156695088

IUPAC2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone
SMILESO=C(c1ccccc1)C(F)(F)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H14F2O/c22-21(23,20(24)14-8-2-1-3-9-14)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13,19H
InChIKeyAPKWKCOEIUDOJE-UHFFFAOYSA-N
MW320.34 g/mol
LogP5.32
Rot. Bonds3

About 2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone

2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone (PubChem CID 156695088) has the molecular formula C21H14F2O and a molecular weight of 320.34 g/mol. Its IUPAC name is 2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone.

Molecular Properties

Compound Name2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone
PubChem CID156695088
Molecular FormulaC21H14F2O
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone
SMILESO=C(c1ccccc1)C(F)(F)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H14F2O/c22-21(23,20(24)14-8-2-1-3-9-14)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13,19H
InChIKeyAPKWKCOEIUDOJE-UHFFFAOYSA-N
XLogP5.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.34
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone?
The IUPAC name of 2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone (CID 156695088) is 2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone.
What is the SMILES notation for 2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone?
The canonical SMILES for 2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone is O=C(c1ccccc1)C(F)(F)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone?
The InChIKey is APKWKCOEIUDOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2O/c22-21(23,20(24)14-8-2-1-3-9-14)19-17-12-6-4-10-15(17)16-11-5-7-13-18(16)19/h1-13,19H.
What are the key properties of 2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone?
2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone has a molecular weight of 320.34 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-yl)-2,2-difluoro-1-phenylethanone is sourced from PubChem (CID 156695088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).