1,2,3,4,5,6,7,8-octafluoro-9H-fluorene-9-carbaldehyde

C14H2F8O — CID 174360692

IUPAC1,2,3,4,5,6,7,8-octafluoro-9H-fluorene-9-carbaldehyde
SMILESO=CC1c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C14H2F8O/c15-7-3-2(1-23)4-6(5(3)9(17)13(21)11(7)19)10(18)14(22)12(20)8(4)16/h1-2H
InChIKeyWOYUQIGEGNOELX-UHFFFAOYSA-N
MW338.15 g/mol
LogP4.11
Rot. Bonds1

About 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene-9-carbaldehyde

1,2,3,4,5,6,7,8-octafluoro-9H-fluorene-9-carbaldehyde (PubChem CID 174360692) has the molecular formula C14H2F8O and a molecular weight of 338.15 g/mol. Its IUPAC name is 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene-9-carbaldehyde.

Molecular Properties

Compound Name1,2,3,4,5,6,7,8-octafluoro-9H-fluorene-9-carbaldehyde
PubChem CID174360692
Molecular FormulaC14H2F8O
Molecular Weight338.15 g/mol
Exact Mass338.00
IUPAC Name1,2,3,4,5,6,7,8-octafluoro-9H-fluorene-9-carbaldehyde
SMILESO=CC1c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c21
InChIInChI=1S/C14H2F8O/c15-7-3-2(1-23)4-6(5(3)9(17)13(21)11(7)19)10(18)14(22)12(20)8(4)16/h1-2H
InChIKeyWOYUQIGEGNOELX-UHFFFAOYSA-N
XLogP4.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.15
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene-9-carbaldehyde?
The IUPAC name of 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene-9-carbaldehyde (CID 174360692) is 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene-9-carbaldehyde.
What is the SMILES notation for 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene-9-carbaldehyde?
The canonical SMILES for 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene-9-carbaldehyde is O=CC1c2c(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-octafluoro-9H-fluorene-9-carbaldehyde?
The InChIKey is WOYUQIGEGNOELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H2F8O/c15-7-3-2(1-23)4-6(5(3)9(17)13(21)11(7)19)10(18)14(22)12(20)8(4)16/h1-2H.
What are the key properties of 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene-9-carbaldehyde?
1,2,3,4,5,6,7,8-octafluoro-9H-fluorene-9-carbaldehyde has a molecular weight of 338.15 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6,7,8-octafluoro-9H-fluorene-9-carbaldehyde is sourced from PubChem (CID 174360692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).