1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one

C20H10F12O — CID 89084264

IUPAC1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one
SMILESO=C(c1ccc2c(c1)Cc1ccccc1-2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C20H10F12O/c21-15(22)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(33)10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)13/h1-6,8,15H,7H2
InChIKeyWURFURFFDYRQBF-UHFFFAOYSA-N
MW494.28 g/mol
LogP6.88
Rot. Bonds7

About 1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one

1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one (PubChem CID 89084264) has the molecular formula C20H10F12O and a molecular weight of 494.28 g/mol. Its IUPAC name is 1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one.

Molecular Properties

Compound Name1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one
PubChem CID89084264
Molecular FormulaC20H10F12O
Molecular Weight494.28 g/mol
Exact Mass494.05
IUPAC Name1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one
SMILESO=C(c1ccc2c(c1)Cc1ccccc1-2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C20H10F12O/c21-15(22)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(33)10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)13/h1-6,8,15H,7H2
InChIKeyWURFURFFDYRQBF-UHFFFAOYSA-N
XLogP6.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.28
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
9H-fluorene-2-carboxamide;hydrochloride
CID 21224790
1-(9H-fluoren-2-yl)-3-phenylpropane-1,3-dione
CID 132527641
9H-fluoren-2-yl-(4-phenylphenyl)methanone
CID 91678788
1H-azepine;9H-fluorene-2-carboxylic acid
CID 174434519
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
[4-(methylamino)phenyl] 4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanoyl)benzoate
CID 58616836
9H-fluoren-2-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171939300
(2E)-1-(9H-fluoren-2-yl)-2-hydrazinylideneethanone
CID 43835389
9H-fluoren-2-yl(9,9'-spirobi[fluorene]-2-yl)methanone
CID 146631569
1-(9H-fluoren-2-yl)prop-1-en-1-ol
CID 141066359
1-(9,10-dihydroanthracen-2-yl)-2-hydroxy-2-methylpropan-1-one
CID 177311615

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one?
The IUPAC name of 1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one (CID 89084264) is 1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one.
What is the SMILES notation for 1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one?
The canonical SMILES for 1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one is O=C(c1ccc2c(c1)Cc1ccccc1-2)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one?
The InChIKey is WURFURFFDYRQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10F12O/c21-15(22)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(33)10-5-6-13-11(8-10)7-9-3-1-2-4-12(9)13/h1-6,8,15H,7H2.
What are the key properties of 1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one?
1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one has a molecular weight of 494.28 g/mol, XLogP of 6.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-2-yl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptan-1-one is sourced from PubChem (CID 89084264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).