1-(9H-fluoren-9-yl)butan-1-one

C17H16O — CID 83046964

IUPAC1-(9H-fluoren-9-yl)butan-1-one
SMILESCCCC(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16O/c1-2-7-16(18)17-14-10-5-3-8-12(14)13-9-4-6-11-15(13)17/h3-6,8-11,17H,2,7H2,1H3
InChIKeyKHKKYPWXHAYPEW-UHFFFAOYSA-N
MW236.31 g/mol
LogP4.17
Rot. Bonds3

About 1-(9H-fluoren-9-yl)butan-1-one

1-(9H-fluoren-9-yl)butan-1-one (PubChem CID 83046964) has the molecular formula C17H16O and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(9H-fluoren-9-yl)butan-1-one.

Molecular Properties

Compound Name1-(9H-fluoren-9-yl)butan-1-one
PubChem CID83046964
Molecular FormulaC17H16O
Molecular Weight236.31 g/mol
Exact Mass236.12
IUPAC Name1-(9H-fluoren-9-yl)butan-1-one
SMILESCCCC(=O)C1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16O/c1-2-7-16(18)17-14-10-5-3-8-12(14)13-9-4-6-11-15(13)17/h3-6,8-11,17H,2,7H2,1H3
InChIKeyKHKKYPWXHAYPEW-UHFFFAOYSA-N
XLogP4.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-yl)butan-1-one?
The IUPAC name of 1-(9H-fluoren-9-yl)butan-1-one (CID 83046964) is 1-(9H-fluoren-9-yl)butan-1-one.
What is the SMILES notation for 1-(9H-fluoren-9-yl)butan-1-one?
The canonical SMILES for 1-(9H-fluoren-9-yl)butan-1-one is CCCC(=O)C1c2ccccc2-c2ccccc21.
What is the InChIKey of 1-(9H-fluoren-9-yl)butan-1-one?
The InChIKey is KHKKYPWXHAYPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O/c1-2-7-16(18)17-14-10-5-3-8-12(14)13-9-4-6-11-15(13)17/h3-6,8-11,17H,2,7H2,1H3.
What are the key properties of 1-(9H-fluoren-9-yl)butan-1-one?
1-(9H-fluoren-9-yl)butan-1-one has a molecular weight of 236.31 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-yl)butan-1-one is sourced from PubChem (CID 83046964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).