1-(4,4,4-trifluorobutyl)-9H-fluorene

C17H15F3 — CID 157441303

IUPAC1-(4,4,4-trifluorobutyl)-9H-fluorene
SMILESFC(F)(F)CCCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C17H15F3/c18-17(19,20)10-4-7-12-6-3-9-15-14-8-2-1-5-13(14)11-16(12)15/h1-3,5-6,8-9H,4,7,10-11H2
InChIKeyBRSBMHOPIJMQAQ-UHFFFAOYSA-N
MW276.30 g/mol
LogP5.14
Rot. Bonds3

About 1-(4,4,4-trifluorobutyl)-9H-fluorene

1-(4,4,4-trifluorobutyl)-9H-fluorene (PubChem CID 157441303) has the molecular formula C17H15F3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)-9H-fluorene.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)-9H-fluorene
PubChem CID157441303
Molecular FormulaC17H15F3
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name1-(4,4,4-trifluorobutyl)-9H-fluorene
SMILESFC(F)(F)CCCc1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C17H15F3/c18-17(19,20)10-4-7-12-6-3-9-15-14-8-2-1-5-13(14)11-16(12)15/h1-3,5-6,8-9H,4,7,10-11H2
InChIKeyBRSBMHOPIJMQAQ-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.30
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(9H-fluoren-1-yl)pentane-1-thiol
CID 141354890
13-(9H-fluoren-1-yl)tridecanoic acid
CID 175383257
butane;9H-fluorene;1-hexyl-9H-fluorene;zirconium
CID 173317551
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
bis(9H-fluoren-1-yl)-methyl-(3,3,3-trifluoropropyl)silane
CID 22623348
ethane;1-ethyl-9H-fluorene;propane
CID 167686584
1-(2,2,2-triphenylethyl)-9H-fluorene
CID 151369525
dichlorozirconium;1-[3-(9H-fluoren-1-yl)propyl]-9H-fluorene
CID 87823992
2-[3-(9H-fluoren-1-yl)propanoyloxy]ethyl 3-(9H-fluoren-1-yl)propanoate
CID 160987584
1-(2-methylpropyl)-9H-fluorene
CID 87557268
2-(9H-fluoren-1-yl)acetamide
CID 22939017
1-(2-cyclopenta-1,3-dien-1-ylethyl)-9H-fluorene;zirconium;dihydrochloride
CID 173337763

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutyl)-9H-fluorene?
The IUPAC name of 1-(4,4,4-trifluorobutyl)-9H-fluorene (CID 157441303) is 1-(4,4,4-trifluorobutyl)-9H-fluorene.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)-9H-fluorene?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)-9H-fluorene is FC(F)(F)CCCc1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)-9H-fluorene?
The InChIKey is BRSBMHOPIJMQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3/c18-17(19,20)10-4-7-12-6-3-9-15-14-8-2-1-5-13(14)11-16(12)15/h1-3,5-6,8-9H,4,7,10-11H2.
What are the key properties of 1-(4,4,4-trifluorobutyl)-9H-fluorene?
1-(4,4,4-trifluorobutyl)-9H-fluorene has a molecular weight of 276.30 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)-9H-fluorene is sourced from PubChem (CID 157441303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).