2-(dibromomethyl)-9-octyl-9H-fluorene

C22H26Br2 — CID 141093380

IUPAC2-(dibromomethyl)-9-octyl-9H-fluorene
SMILESCCCCCCCCC1c2ccccc2-c2ccc(C(Br)Br)cc21
InChIInChI=1S/C22H26Br2/c1-2-3-4-5-6-7-10-19-17-11-8-9-12-18(17)20-14-13-16(22(23)24)15-21(19)20/h8-9,11-15,19,22H,2-7,10H2,1H3
InChIKeyHNBWWEFJJOTTHU-UHFFFAOYSA-N
MW450.26 g/mol
LogP8.34
Rot. Bonds8

About 2-(dibromomethyl)-9-octyl-9H-fluorene

2-(dibromomethyl)-9-octyl-9H-fluorene (PubChem CID 141093380) has the molecular formula C22H26Br2 and a molecular weight of 450.26 g/mol. Its IUPAC name is 2-(dibromomethyl)-9-octyl-9H-fluorene.

Molecular Properties

Compound Name2-(dibromomethyl)-9-octyl-9H-fluorene
PubChem CID141093380
Molecular FormulaC22H26Br2
Molecular Weight450.26 g/mol
Exact Mass448.04
IUPAC Name2-(dibromomethyl)-9-octyl-9H-fluorene
SMILESCCCCCCCCC1c2ccccc2-c2ccc(C(Br)Br)cc21
InChIInChI=1S/C22H26Br2/c1-2-3-4-5-6-7-10-19-17-11-8-9-12-18(17)20-14-13-16(22(23)24)15-21(19)20/h8-9,11-15,19,22H,2-7,10H2,1H3
InChIKeyHNBWWEFJJOTTHU-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.26
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-nonyl-9H-fluorene
CID 22568532
9-hexyl-9H-fluorene-2,7-diamine
CID 66850655
2,7-bis[6-(9H-fluoren-9-yl)hexoxy]-3,6,10,11-tetrapentoxytriphenylene
CID 101153566
2-[7-(1,3,2-dioxaborolan-2-yl)-9-octyl-9H-fluoren-2-yl]-1,3,2-dioxaborolane
CID 163954721
2-methyl-9-[2-(2-methyl-9H-fluoren-9-yl)ethyl]-9H-fluorene
CID 15494405
9H-carbazole;diphenylphosphane;9-pentyl-9H-fluorene;hydrate
CID 174867049
11-[2-(9H-fluoren-9-yl)ethyl]-11H-benzo[b]fluorene
CID 15494429
8-tetradecyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 21292499
5,11,17,23-tetraphenyl-2,8,14,20-tetra(undecyl)-5,11,17,23-tetraphosphanonacyclo[19.3.1.13,7.14,6.19,13.110,12.115,19.116,18.122,24]dotriaconta-1(25),3(31),4(32),6,9(29),10(30),12,15,18(28),19(27),21,24(26)-dodecaene
CID 102026497
4-hexyl-2-hydroxy-4H-isoquinoline-1,3-dione
CID 51041923
4,12-dibromo-8-hexyl-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58516883
CID 140588184
CID 140588184

Frequently Asked Questions

What is the IUPAC name of 2-(dibromomethyl)-9-octyl-9H-fluorene?
The IUPAC name of 2-(dibromomethyl)-9-octyl-9H-fluorene (CID 141093380) is 2-(dibromomethyl)-9-octyl-9H-fluorene.
What is the SMILES notation for 2-(dibromomethyl)-9-octyl-9H-fluorene?
The canonical SMILES for 2-(dibromomethyl)-9-octyl-9H-fluorene is CCCCCCCCC1c2ccccc2-c2ccc(C(Br)Br)cc21.
What is the InChIKey of 2-(dibromomethyl)-9-octyl-9H-fluorene?
The InChIKey is HNBWWEFJJOTTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Br2/c1-2-3-4-5-6-7-10-19-17-11-8-9-12-18(17)20-14-13-16(22(23)24)15-21(19)20/h8-9,11-15,19,22H,2-7,10H2,1H3.
What are the key properties of 2-(dibromomethyl)-9-octyl-9H-fluorene?
2-(dibromomethyl)-9-octyl-9H-fluorene has a molecular weight of 450.26 g/mol, XLogP of 8.34, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibromomethyl)-9-octyl-9H-fluorene is sourced from PubChem (CID 141093380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).