2-bromo-7-fluorospiro[fluorene-9,9'-xanthene]

C25H14BrFO — CID 145003062

IUPAC2-bromo-7-fluorospiro[fluorene-9,9'-xanthene]
SMILESFc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(Br)ccc1-2
InChIInChI=1S/C25H14BrFO/c26-15-9-11-17-18-12-10-16(27)14-22(18)25(21(17)13-15)19-5-1-3-7-23(19)28-24-8-4-2-6-20(24)25/h1-14H
InChIKeyJLQGCUDOAZQJCX-UHFFFAOYSA-N
MW429.29 g/mol
LogP7.06
Rot. Bonds

About 2-bromo-7-fluorospiro[fluorene-9,9'-xanthene]

2-bromo-7-fluorospiro[fluorene-9,9'-xanthene] (PubChem CID 145003062) has the molecular formula C25H14BrFO and a molecular weight of 429.29 g/mol. Its IUPAC name is 2-bromo-7-fluorospiro[fluorene-9,9'-xanthene].

Molecular Properties

Compound Name2-bromo-7-fluorospiro[fluorene-9,9'-xanthene]
PubChem CID145003062
Molecular FormulaC25H14BrFO
Molecular Weight429.29 g/mol
Exact Mass428.02
IUPAC Name2-bromo-7-fluorospiro[fluorene-9,9'-xanthene]
SMILESFc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(Br)ccc1-2
InChIInChI=1S/C25H14BrFO/c26-15-9-11-17-18-12-10-16(27)14-22(18)25(21(17)13-15)19-5-1-3-7-23(19)28-24-8-4-2-6-20(24)25/h1-14H
InChIKeyJLQGCUDOAZQJCX-UHFFFAOYSA-N
XLogP7.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.29
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2'-Bromospiro[fluorene-9,9'-xanthene]
CID 90153653
4-Bromospiro[fluorene-9,9'-xanthene]
CID 90153673
Spiro[fluorene-9,9'-xanthene]
CID 22015965
2-Bromospiro[fluorene-9,9'-xanthene]
CID 11546047
2,7-Dibromospiro[fluorene-9,7'-dibenzo[c,h]xanthene]
CID 89853978
2,7-Dibromo-3',6'-dioctoxyspiro[fluorene-9,9'-xanthene]
CID 101383164
2,7-Dibromo-4-(octyloxy)-9,9-diphenyl-fluorene
CID 102228343
2-Bromo-9,9-bis(4-butoxyphenyl)-fluorene
CID 154574400
2,7-Dibromo-9,9-bis[8-(2,3,4,5,6-pentafluorophenoxy)octyl]fluorene
CID 58274120
2,7-Dibromo-9,9-bis[4-[8-(2,3,4,5,6-pentafluorophenoxy)octoxy]phenyl]fluorene
CID 58274124
17-Bromo-10-fluoro-5,5-bis(4-methoxyphenyl)-21,21-dimethyl-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene
CID 67687508
17-Bromo-5,5-bis(4-fluorophenyl)-21,21-dimethyl-9,11-bis(trifluoromethyl)-6-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,8(13),9,11,15(20),16,18-nonaene
CID 88537016

Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-fluorospiro[fluorene-9,9'-xanthene]?
The IUPAC name of 2-bromo-7-fluorospiro[fluorene-9,9'-xanthene] (CID 145003062) is 2-bromo-7-fluorospiro[fluorene-9,9'-xanthene].
What is the SMILES notation for 2-bromo-7-fluorospiro[fluorene-9,9'-xanthene]?
The canonical SMILES for 2-bromo-7-fluorospiro[fluorene-9,9'-xanthene] is Fc1ccc2c(c1)C1(c3ccccc3Oc3ccccc31)c1cc(Br)ccc1-2.
What is the InChIKey of 2-bromo-7-fluorospiro[fluorene-9,9'-xanthene]?
The InChIKey is JLQGCUDOAZQJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H14BrFO/c26-15-9-11-17-18-12-10-16(27)14-22(18)25(21(17)13-15)19-5-1-3-7-23(19)28-24-8-4-2-6-20(24)25/h1-14H.
What are the key properties of 2-bromo-7-fluorospiro[fluorene-9,9'-xanthene]?
2-bromo-7-fluorospiro[fluorene-9,9'-xanthene] has a molecular weight of 429.29 g/mol, XLogP of 7.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-fluorospiro[fluorene-9,9'-xanthene] is sourced from PubChem (CID 145003062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).