(11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane]

C20H14Br2O — CID 162399117

IUPAC(11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane]
SMILESBrc1cc2ccc3c(c2cc1Br)[C@@]1(CCCO1)c1ccccc1-3
InChIInChI=1S/C20H14Br2O/c21-17-10-12-6-7-14-13-4-1-2-5-16(13)20(8-3-9-23-20)19(14)15(12)11-18(17)22/h1-2,4-7,10-11H,3,8-9H2/t20-/m1/s1
InChIKeyFQGVAESLLJMGLU-HXUWFJFHSA-N
MW430.14 g/mol
LogP6.40
Rot. Bonds

About (11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane]

(11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane] (PubChem CID 162399117) has the molecular formula C20H14Br2O and a molecular weight of 430.14 g/mol. Its IUPAC name is (11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane].

Molecular Properties

Compound Name(11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane]
PubChem CID162399117
Molecular FormulaC20H14Br2O
Molecular Weight430.14 g/mol
Exact Mass427.94
IUPAC Name(11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane]
SMILESBrc1cc2ccc3c(c2cc1Br)[C@@]1(CCCO1)c1ccccc1-3
InChIInChI=1S/C20H14Br2O/c21-17-10-12-6-7-14-13-4-1-2-5-16(13)20(8-3-9-23-20)19(14)15(12)11-18(17)22/h1-2,4-7,10-11H,3,8-9H2/t20-/m1/s1
InChIKeyFQGVAESLLJMGLU-HXUWFJFHSA-N
XLogP6.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.14
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Bromo-7-(trifluoromethyl)naphthalene;10-bromo-4-(trifluoromethyl)-11-oxatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
CID 157581666
Spiro[benzo[a]fluorene-11,2'-oxolane]
CID 132598612
4,5-Dibromo-2,7-di-tert-butyl-9,12-dihydro-9,12-epoxybenzo[e]pyrene
CID 154827484
2-Bromo-6-[(6-bromonaphthalen-2-yl)methoxymethyl]naphthalene
CID 170843154
Spiro[4H-cyclopenta[def]phenanthrene-4,2'-[1,3]dioxolane], 8-bromo-
CID 629870
2,7-Dibromo-9-(2,7-dibromo-9-ethylfluoren-9-yl)oxy-9-ethylfluorene
CID 57626560
3-[6-[2,7-Dibromo-9-(2,5-dimethylphenyl)fluoren-9-yl]oxyhexoxymethyl]-3-methyloxetane
CID 57846328
1-Bromo-3-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxy]propan-2-yl]anthracene
CID 57858483
1-Bromo-2-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxy]propan-2-yl]anthracene
CID 57858496
2-Bromo-3-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)methoxy]propan-2-yl]naphthalene
CID 57858572
2-Bromo-1-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-yl]phenanthrene
CID 57858770
2-Bromo-1-[2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-yl]anthracene
CID 57858931

Frequently Asked Questions

What is the IUPAC name of (11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane]?
The IUPAC name of (11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane] (CID 162399117) is (11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane].
What is the SMILES notation for (11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane]?
The canonical SMILES for (11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane] is Brc1cc2ccc3c(c2cc1Br)[C@@]1(CCCO1)c1ccccc1-3.
What is the InChIKey of (11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane]?
The InChIKey is FQGVAESLLJMGLU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H14Br2O/c21-17-10-12-6-7-14-13-4-1-2-5-16(13)20(8-3-9-23-20)19(14)15(12)11-18(17)22/h1-2,4-7,10-11H,3,8-9H2/t20-/m1/s1.
What are the key properties of (11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane]?
(11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane] has a molecular weight of 430.14 g/mol, XLogP of 6.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11R)-2,3-dibromospiro[benzo[a]fluorene-11,2'-oxolane] is sourced from PubChem (CID 162399117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).