1,2,3,4,5,6,7,8,9-nonafluoro-9-methylfluorene

C14H3F9 — CID 21335066

IUPAC1,2,3,4,5,6,7,8,9-nonafluoro-9-methylfluorene
SMILESCC1(F)c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C14H3F9/c1-14(23)4-2(6(15)10(19)12(21)8(4)17)3-5(14)9(18)13(22)11(20)7(3)16/h1H3
InChIKeyLUYUUZSQVOPUBY-UHFFFAOYSA-N
MW342.16 g/mol
LogP5.01
Rot. Bonds

About 1,2,3,4,5,6,7,8,9-nonafluoro-9-methylfluorene

1,2,3,4,5,6,7,8,9-nonafluoro-9-methylfluorene (PubChem CID 21335066) has the molecular formula C14H3F9 and a molecular weight of 342.16 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8,9-nonafluoro-9-methylfluorene.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8,9-nonafluoro-9-methylfluorene
PubChem CID21335066
Molecular FormulaC14H3F9
Molecular Weight342.16 g/mol
Exact Mass342.01
IUPAC Name1,2,3,4,5,6,7,8,9-nonafluoro-9-methylfluorene
SMILESCC1(F)c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C14H3F9/c1-14(23)4-2(6(15)10(19)12(21)8(4)17)3-5(14)9(18)13(22)11(20)7(3)16/h1H3
InChIKeyLUYUUZSQVOPUBY-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.16
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,5,6,7-Decafluoro-2,3-dihydro-1H-indene
CID 9796264
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CID 11670108
1,1,2,2,3,4,5,6,7-Nonafluoro-3-(trifluoromethyl)-2,3-dihydro-1H-indene
CID 12521072
1,2,3,4,5,6,7,8,9,9-Decafluorofluorene
CID 21731377
1,2-Bis(trifluoromethyl)perfluoroindane
CID 630113
Perfluoro-1,1-diethylindan
CID 4263774
Perfluoro-1-vinylindan
CID 13801708
Perfluoro-1,1,3-trimethylindane
CID 14227408
Perfluoro-1-isopropylindan
CID 15175711
Perfluoro-1,2,2-trimethylindan
CID 15175712
Perfluoro-2,2-dimethylindane
CID 15175713
Perfluoro-1,7-dimethylindane
CID 15628710

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8,9-nonafluoro-9-methylfluorene?
The IUPAC name of 1,2,3,4,5,6,7,8,9-nonafluoro-9-methylfluorene (CID 21335066) is 1,2,3,4,5,6,7,8,9-nonafluoro-9-methylfluorene.
What is the SMILES notation for 1,2,3,4,5,6,7,8,9-nonafluoro-9-methylfluorene?
The canonical SMILES for 1,2,3,4,5,6,7,8,9-nonafluoro-9-methylfluorene is CC1(F)c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c21.
What is the InChIKey of 1,2,3,4,5,6,7,8,9-nonafluoro-9-methylfluorene?
The InChIKey is LUYUUZSQVOPUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H3F9/c1-14(23)4-2(6(15)10(19)12(21)8(4)17)3-5(14)9(18)13(22)11(20)7(3)16/h1H3.
What are the key properties of 1,2,3,4,5,6,7,8,9-nonafluoro-9-methylfluorene?
1,2,3,4,5,6,7,8,9-nonafluoro-9-methylfluorene has a molecular weight of 342.16 g/mol, XLogP of 5.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8,9-nonafluoro-9-methylfluorene is sourced from PubChem (CID 21335066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).