2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene

C17H16BrClO2 — CID 141480735

IUPAC2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene
SMILESCOC(CCl)(OC)c1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C17H16BrClO2/c1-20-17(10-19,21-2)13-3-5-15-11(8-13)7-12-9-14(18)4-6-16(12)15/h3-6,8-9H,7,10H2,1-2H3
InChIKeyNJWLKACGQNFMBI-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.70
Rot. Bonds4

About 2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene

2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene (PubChem CID 141480735) has the molecular formula C17H16BrClO2 and a molecular weight of 367.67 g/mol. Its IUPAC name is 2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene.

Molecular Properties

Compound Name2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene
PubChem CID141480735
Molecular FormulaC17H16BrClO2
Molecular Weight367.67 g/mol
Exact Mass366.00
IUPAC Name2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene
SMILESCOC(CCl)(OC)c1ccc2c(c1)Cc1cc(Br)ccc1-2
InChIInChI=1S/C17H16BrClO2/c1-20-17(10-19,21-2)13-3-5-15-11(8-13)7-12-9-14(18)4-6-16(12)15/h3-6,8-9H,7,10H2,1-2H3
InChIKeyNJWLKACGQNFMBI-UHFFFAOYSA-N
XLogP4.70
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(7-Bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-5,5-dimethyl-1,3-dioxane
CID 145082417
2-(7-Bromo-9,9-difluorofluoren-2-yl)-2-(chloromethyl)-1,3-dioxolane
CID 145082421
2-(7-Bromo-9,9-difluorofluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane
CID 145082424
6-Bromo-9,9-dimethoxy-2-(methoxymethyl)fluorene
CID 11792050
4-Bromo-2-(2-chloro-1,1-dimethoxyethyl)-1-methylbenzene
CID 68293145
2-Bromo-1-ethyl-9,9-dimethoxyfluorene
CID 69587083
2-Bromo-7-(1-ethoxyethenyl)-9,9-dimethylfluorene
CID 89405754
3-Bromo-9,9-dimethoxyfluorene
CID 139601391
3-Bromo-9,9-diethoxyfluorene
CID 139601404
2-(7-bromo-9H-fluoren-2-yl)-2-(bromomethyl)-1,3-dioxolane
CID 141480734
2-(7-Bromo-9,9-dimethylfluoren-2-yl)-1,3-dioxole
CID 141741406
2-(7-bromo-9H-fluoren-2-yl)-2,5,5-trimethyl-1,3-dioxane
CID 145082418

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene?
The IUPAC name of 2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene (CID 141480735) is 2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene.
What is the SMILES notation for 2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene?
The canonical SMILES for 2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene is COC(CCl)(OC)c1ccc2c(c1)Cc1cc(Br)ccc1-2.
What is the InChIKey of 2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene?
The InChIKey is NJWLKACGQNFMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClO2/c1-20-17(10-19,21-2)13-3-5-15-11(8-13)7-12-9-14(18)4-6-16(12)15/h3-6,8-9H,7,10H2,1-2H3.
What are the key properties of 2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene?
2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene has a molecular weight of 367.67 g/mol, XLogP of 4.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-(2-chloro-1,1-dimethoxyethyl)-9H-fluorene is sourced from PubChem (CID 141480735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).