1-(4-chlorophenyl)-2',7'-difluoro-9,9'-spirobi[fluorene]

C31H17ClF2 — CID 137388083

IUPAC1-(4-chlorophenyl)-2',7'-difluoro-9,9'-spirobi[fluorene]
SMILESFc1ccc2c(c1)C1(c3cc(F)ccc3-2)c2ccccc2-c2cccc(-c3ccc(Cl)cc3)c21
InChIInChI=1S/C31H17ClF2/c32-19-10-8-18(9-11-19)22-5-3-6-26-23-4-1-2-7-27(23)31(30(22)26)28-16-20(33)12-14-24(28)25-15-13-21(34)17-29(25)31/h1-17H
InChIKeyYOPUMJUNOGZEIR-UHFFFAOYSA-N
MW462.93 g/mol
LogP8.63
Rot. Bonds1

About 1-(4-chlorophenyl)-2',7'-difluoro-9,9'-spirobi[fluorene]

1-(4-chlorophenyl)-2',7'-difluoro-9,9'-spirobi[fluorene] (PubChem CID 137388083) has the molecular formula C31H17ClF2 and a molecular weight of 462.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2',7'-difluoro-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name1-(4-chlorophenyl)-2',7'-difluoro-9,9'-spirobi[fluorene]
PubChem CID137388083
Molecular FormulaC31H17ClF2
Molecular Weight462.93 g/mol
Exact Mass462.10
IUPAC Name1-(4-chlorophenyl)-2',7'-difluoro-9,9'-spirobi[fluorene]
SMILESFc1ccc2c(c1)C1(c3cc(F)ccc3-2)c2ccccc2-c2cccc(-c3ccc(Cl)cc3)c21
InChIInChI=1S/C31H17ClF2/c32-19-10-8-18(9-11-19)22-5-3-6-26-23-4-1-2-7-27(23)31(30(22)26)28-16-20(33)12-14-24(28)25-15-13-21(34)17-29(25)31/h1-17H
InChIKeyYOPUMJUNOGZEIR-UHFFFAOYSA-N
XLogP8.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.93
LogP ≤ 58.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2',7'-difluoro-9,9'-spirobi[fluorene]?
The IUPAC name of 1-(4-chlorophenyl)-2',7'-difluoro-9,9'-spirobi[fluorene] (CID 137388083) is 1-(4-chlorophenyl)-2',7'-difluoro-9,9'-spirobi[fluorene].
What is the SMILES notation for 1-(4-chlorophenyl)-2',7'-difluoro-9,9'-spirobi[fluorene]?
The canonical SMILES for 1-(4-chlorophenyl)-2',7'-difluoro-9,9'-spirobi[fluorene] is Fc1ccc2c(c1)C1(c3cc(F)ccc3-2)c2ccccc2-c2cccc(-c3ccc(Cl)cc3)c21.
What is the InChIKey of 1-(4-chlorophenyl)-2',7'-difluoro-9,9'-spirobi[fluorene]?
The InChIKey is YOPUMJUNOGZEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17ClF2/c32-19-10-8-18(9-11-19)22-5-3-6-26-23-4-1-2-7-27(23)31(30(22)26)28-16-20(33)12-14-24(28)25-15-13-21(34)17-29(25)31/h1-17H.
What are the key properties of 1-(4-chlorophenyl)-2',7'-difluoro-9,9'-spirobi[fluorene]?
1-(4-chlorophenyl)-2',7'-difluoro-9,9'-spirobi[fluorene] has a molecular weight of 462.93 g/mol, XLogP of 8.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2',7'-difluoro-9,9'-spirobi[fluorene] is sourced from PubChem (CID 137388083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).