4-chloro-9,9-dimethyl-2,7-bis(trideuteriomethyl)fluorene

C17H17Cl — CID 176836204

IUPAC4-chloro-9,9-dimethyl-2,7-bis(trideuteriomethyl)fluorene
SMILES[2H]C([2H])([2H])c1ccc2c(c1)C(C)(C)c1cc(C([2H])([2H])[2H])cc(Cl)c1-2
InChIInChI=1S/C17H17Cl/c1-10-5-6-12-13(7-10)17(3,4)14-8-11(2)9-15(18)16(12)14/h5-9H,1-4H3/i1D3,2D3
InChIKeyDNSBLMVCRATNST-WFGJKAKNSA-N
MW262.81 g/mol
LogP5.26
Rot. Bonds2

About 4-chloro-9,9-dimethyl-2,7-bis(trideuteriomethyl)fluorene

4-chloro-9,9-dimethyl-2,7-bis(trideuteriomethyl)fluorene (PubChem CID 176836204) has the molecular formula C17H17Cl and a molecular weight of 262.81 g/mol. Its IUPAC name is 4-chloro-9,9-dimethyl-2,7-bis(trideuteriomethyl)fluorene.

Molecular Properties

Compound Name4-chloro-9,9-dimethyl-2,7-bis(trideuteriomethyl)fluorene
PubChem CID176836204
Molecular FormulaC17H17Cl
Molecular Weight262.81 g/mol
Exact Mass262.14
IUPAC Name4-chloro-9,9-dimethyl-2,7-bis(trideuteriomethyl)fluorene
SMILES[2H]C([2H])([2H])c1ccc2c(c1)C(C)(C)c1cc(C([2H])([2H])[2H])cc(Cl)c1-2
InChIInChI=1S/C17H17Cl/c1-10-5-6-12-13(7-10)17(3,4)14-8-11(2)9-15(18)16(12)14/h5-9H,1-4H3/i1D3,2D3
InChIKeyDNSBLMVCRATNST-WFGJKAKNSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.81
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

9,9-dimethyl-2,7-bis(trideuteriomethyl)-10H-acridine
CID 175736792
2,7,9,9-tetramethylfluorene
CID 22951928
2,7,9,9-tetramethyl-4-[2,3,5,6-tetrafluoro-4-(2,7,9,9-tetramethylfluoren-4-yl)phenyl]fluorene
CID 58987000
5,7,7,9-tetramethylbenzo[c]fluorene
CID 59595492
2,6,9,9-tetramethylfluorene
CID 23527438
7-chloro-2,4-difluoro-9,9-dimethylfluorene
CID 156704590
2-(4-chloro-9,9-dimethylfluoren-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 175634418
carbanide;2,7,9,9-tetramethylfluorene;7,9,9-trimethyl-2H-fluoren-2-ide;vanadium(2+)
CID 159557413
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
2,7-ditert-butyl-9,9-dimethyl-4-[4-(4-methylphenyl)phenyl]fluorene
CID 58986962
2-ethyl-7,9,9-trimethylfluorene
CID 59167125
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521

Frequently Asked Questions

What is the IUPAC name of 4-chloro-9,9-dimethyl-2,7-bis(trideuteriomethyl)fluorene?
The IUPAC name of 4-chloro-9,9-dimethyl-2,7-bis(trideuteriomethyl)fluorene (CID 176836204) is 4-chloro-9,9-dimethyl-2,7-bis(trideuteriomethyl)fluorene.
What is the SMILES notation for 4-chloro-9,9-dimethyl-2,7-bis(trideuteriomethyl)fluorene?
The canonical SMILES for 4-chloro-9,9-dimethyl-2,7-bis(trideuteriomethyl)fluorene is [2H]C([2H])([2H])c1ccc2c(c1)C(C)(C)c1cc(C([2H])([2H])[2H])cc(Cl)c1-2.
What is the InChIKey of 4-chloro-9,9-dimethyl-2,7-bis(trideuteriomethyl)fluorene?
The InChIKey is DNSBLMVCRATNST-WFGJKAKNSA-N. The full InChI is InChI=1S/C17H17Cl/c1-10-5-6-12-13(7-10)17(3,4)14-8-11(2)9-15(18)16(12)14/h5-9H,1-4H3/i1D3,2D3.
What are the key properties of 4-chloro-9,9-dimethyl-2,7-bis(trideuteriomethyl)fluorene?
4-chloro-9,9-dimethyl-2,7-bis(trideuteriomethyl)fluorene has a molecular weight of 262.81 g/mol, XLogP of 5.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-9,9-dimethyl-2,7-bis(trideuteriomethyl)fluorene is sourced from PubChem (CID 176836204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).