2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane

C16H11Cl3O3 — CID 151836877

IUPAC2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane
SMILESClc1c(Cl)c2c(c(C3OCOCO3)c1Cl)Cc1ccccc1-2
InChIInChI=1S/C16H11Cl3O3/c17-13-11-9-4-2-1-3-8(9)5-10(11)12(14(18)15(13)19)16-21-6-20-7-22-16/h1-4,16H,5-7H2
InChIKeySFVOTBWWGIOJLH-UHFFFAOYSA-N
MW357.62 g/mol
LogP5.20
Rot. Bonds1

About 2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane

2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane (PubChem CID 151836877) has the molecular formula C16H11Cl3O3 and a molecular weight of 357.62 g/mol. Its IUPAC name is 2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane.

Molecular Properties

Compound Name2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane
PubChem CID151836877
Molecular FormulaC16H11Cl3O3
Molecular Weight357.62 g/mol
Exact Mass355.98
IUPAC Name2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane
SMILESClc1c(Cl)c2c(c(C3OCOCO3)c1Cl)Cc1ccccc1-2
InChIInChI=1S/C16H11Cl3O3/c17-13-11-9-4-2-1-3-8(9)5-10(11)12(14(18)15(13)19)16-21-6-20-7-22-16/h1-4,16H,5-7H2
InChIKeySFVOTBWWGIOJLH-UHFFFAOYSA-N
XLogP5.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.62
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(9H-fluoren-1-yl)-2,3,4-triphenyl-9H-fluorene
CID 150664526
4-chloro-9H-fluoren-1-amine
CID 86060029
2,4-dichloro-9H-fluorene
CID 101371792
1-[2-(2,3-diphenyl-9H-fluoren-1-yl)ethenyl]-2,3-diphenyl-9H-fluorene
CID 150549233
1-chloro-2-[2-(1-chloro-9H-fluoren-2-yl)ethyl]-9H-fluorene;titanium
CID 87867259
dichlorotitanium;9H-fluorene
CID 174396064
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
1-(4-fluorophenyl)-2,3,4-triphenyl-9H-fluorene
CID 150980192
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
9H-fluorene-1,2,3,4-tetramine
CID 67197336
1,2,3,4-tetraphenyl-9H-fluorene;trifluoromethanesulfonic acid
CID 158607547
heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,22,24-undecaene
CID 123589804

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane?
The IUPAC name of 2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane (CID 151836877) is 2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane.
What is the SMILES notation for 2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane?
The canonical SMILES for 2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane is Clc1c(Cl)c2c(c(C3OCOCO3)c1Cl)Cc1ccccc1-2.
What is the InChIKey of 2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane?
The InChIKey is SFVOTBWWGIOJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3O3/c17-13-11-9-4-2-1-3-8(9)5-10(11)12(14(18)15(13)19)16-21-6-20-7-22-16/h1-4,16H,5-7H2.
What are the key properties of 2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane?
2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane has a molecular weight of 357.62 g/mol, XLogP of 5.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trichloro-9H-fluoren-1-yl)-1,3,5-trioxane is sourced from PubChem (CID 151836877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).