ethane;4-(9H-fluoren-9-yl)butan-2-one

C19H22O — CID 143985685

IUPACethane;4-(9H-fluoren-9-yl)butan-2-one
SMILESCC.CC(=O)CCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16O.C2H6/c1-12(18)10-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;1-2/h2-9,17H,10-11H2,1H3;1-2H3
InChIKeySKPDVTFGMIWNAN-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.19
Rot. Bonds3

About ethane;4-(9H-fluoren-9-yl)butan-2-one

ethane;4-(9H-fluoren-9-yl)butan-2-one (PubChem CID 143985685) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is ethane;4-(9H-fluoren-9-yl)butan-2-one.

Molecular Properties

Compound Nameethane;4-(9H-fluoren-9-yl)butan-2-one
PubChem CID143985685
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Nameethane;4-(9H-fluoren-9-yl)butan-2-one
SMILESCC.CC(=O)CCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C17H16O.C2H6/c1-12(18)10-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;1-2/h2-9,17H,10-11H2,1H3;1-2H3
InChIKeySKPDVTFGMIWNAN-UHFFFAOYSA-N
XLogP5.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(9H-fluoren-9-yl)ethyl acetate
CID 134437630
(1R)-1-(3-oxobutyl)-3,4-dihydro-1H-naphthalen-2-one
CID 150600443
3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoic acid
CID 69412355
4-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)butan-2-one
CID 83985204
3-(9H-fluoren-9-yl)-N-propylpropanamide;2-methylbut-1-ene
CID 143317570
9H-fluoren-9-ylmethyl 2-bromoacetate
CID 86059891
4-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-2-one
CID 79429274
3-(4-methyl-9H-fluoren-9-yl)propanoic acid
CID 15045078
3-[2-(9H-fluoren-9-yl)ethyl-methylamino]propanoyl chloride;hydrochloride
CID 87822203
(2S)-2-[3-(9H-fluoren-9-yl)propanoylamino]-3,3-dimethylbutanoic acid
CID 15045076
lithium 9-ethyl-9H-fluorene
CID 23225742
4-(9H-fluoren-9-yl)butan-1-ol
CID 10060129

Frequently Asked Questions

What is the IUPAC name of ethane;4-(9H-fluoren-9-yl)butan-2-one?
The IUPAC name of ethane;4-(9H-fluoren-9-yl)butan-2-one (CID 143985685) is ethane;4-(9H-fluoren-9-yl)butan-2-one.
What is the SMILES notation for ethane;4-(9H-fluoren-9-yl)butan-2-one?
The canonical SMILES for ethane;4-(9H-fluoren-9-yl)butan-2-one is CC.CC(=O)CCC1c2ccccc2-c2ccccc21.
What is the InChIKey of ethane;4-(9H-fluoren-9-yl)butan-2-one?
The InChIKey is SKPDVTFGMIWNAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O.C2H6/c1-12(18)10-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17;1-2/h2-9,17H,10-11H2,1H3;1-2H3.
What are the key properties of ethane;4-(9H-fluoren-9-yl)butan-2-one?
ethane;4-(9H-fluoren-9-yl)butan-2-one has a molecular weight of 266.38 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(9H-fluoren-9-yl)butan-2-one is sourced from PubChem (CID 143985685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).