1-(bromomethyl)-9-butyl-9-methylfluorene

C19H21Br — CID 151877152

IUPAC1-(bromomethyl)-9-butyl-9-methylfluorene
SMILESCCCCC1(C)c2ccccc2-c2cccc(CBr)c21
InChIInChI=1S/C19H21Br/c1-3-4-12-19(2)17-11-6-5-9-15(17)16-10-7-8-14(13-20)18(16)19/h5-11H,3-4,12-13H2,1-2H3
InChIKeySNXNXGVLBMHKPF-UHFFFAOYSA-N
MW329.28 g/mol
LogP6.06
Rot. Bonds4

About 1-(bromomethyl)-9-butyl-9-methylfluorene

1-(bromomethyl)-9-butyl-9-methylfluorene (PubChem CID 151877152) has the molecular formula C19H21Br and a molecular weight of 329.28 g/mol. Its IUPAC name is 1-(bromomethyl)-9-butyl-9-methylfluorene.

Molecular Properties

Compound Name1-(bromomethyl)-9-butyl-9-methylfluorene
PubChem CID151877152
Molecular FormulaC19H21Br
Molecular Weight329.28 g/mol
Exact Mass328.08
IUPAC Name1-(bromomethyl)-9-butyl-9-methylfluorene
SMILESCCCCC1(C)c2ccccc2-c2cccc(CBr)c21
InChIInChI=1S/C19H21Br/c1-3-4-12-19(2)17-11-6-5-9-15(17)16-10-7-8-14(13-20)18(16)19/h5-11H,3-4,12-13H2,1-2H3
InChIKeySNXNXGVLBMHKPF-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.28
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

9-methyl-9-propylfluorene
CID 13283188
2-bromo-9-hexyl-9-methylfluorene
CID 141395535
2-(7-hexyl-7-methyl-2-bicyclo[4.1.0]hepta-1,3,5-trienyl)benzonitrile
CID 70520636
2-(4-bromophenyl)-9-methyl-9-octylfluorene
CID 134581594
ethane;pentane;spiro[anthracene-10,9'-fluorene]-9-one
CID 145141173
9,9-didecylfluorene
CID 5135289
9,9-di(docosyl)fluorene
CID 22568526
1-(bromomethyl)-2-pentylbenzene
CID 19779718
N,N-diethyl-9,9'-spirobi[fluorene]-1-amine;ethane
CID 159657199
9,9-bis[(9-ethylfluoren-9-yl)methyl]fluorene;9-butyl-9-[(9-butylfluoren-9-yl)methyl]fluorene;9-ethyl-9-[2-(9-ethylfluoren-9-yl)ethyl]fluorene;9-ethyl-9-[(9-ethylfluoren-9-yl)methyl]fluorene;9-methyl-9-[2-(9-methylfluoren-9-yl)ethyl]fluorene;9-methyl-9-[(9-methylfluoren-9-yl)methyl]fluorene;9-propyl-9-[(9-propylfluoren-9-yl)methyl]fluorene
CID 157111570
6,12-diethyl-6,12-dimethylindeno[1,2-b]fluorene
CID 144770955
2,9-dimethyl-9-propylfluorene
CID 58051803

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-9-butyl-9-methylfluorene?
The IUPAC name of 1-(bromomethyl)-9-butyl-9-methylfluorene (CID 151877152) is 1-(bromomethyl)-9-butyl-9-methylfluorene.
What is the SMILES notation for 1-(bromomethyl)-9-butyl-9-methylfluorene?
The canonical SMILES for 1-(bromomethyl)-9-butyl-9-methylfluorene is CCCCC1(C)c2ccccc2-c2cccc(CBr)c21.
What is the InChIKey of 1-(bromomethyl)-9-butyl-9-methylfluorene?
The InChIKey is SNXNXGVLBMHKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Br/c1-3-4-12-19(2)17-11-6-5-9-15(17)16-10-7-8-14(13-20)18(16)19/h5-11H,3-4,12-13H2,1-2H3.
What are the key properties of 1-(bromomethyl)-9-butyl-9-methylfluorene?
1-(bromomethyl)-9-butyl-9-methylfluorene has a molecular weight of 329.28 g/mol, XLogP of 6.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-9-butyl-9-methylfluorene is sourced from PubChem (CID 151877152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).