2-(4-chloro-3-fluorophenyl)-3-fluoro-7-propyl-9H-fluorene

C22H17ClF2 — CID 22044778

IUPAC2-(4-chloro-3-fluorophenyl)-3-fluoro-7-propyl-9H-fluorene
SMILESCCCc1ccc2c(c1)Cc1cc(-c3ccc(Cl)c(F)c3)c(F)cc1-2
InChIInChI=1S/C22H17ClF2/c1-2-3-13-4-6-17-15(8-13)9-16-10-19(21(24)12-18(16)17)14-5-7-20(23)22(25)11-14/h4-8,10-12H,2-3,9H2,1H3
InChIKeyPNIVDBBAVBHVBL-UHFFFAOYSA-N
MW354.83 g/mol
LogP6.81
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-3-fluoro-7-propyl-9H-fluorene

2-(4-chloro-3-fluorophenyl)-3-fluoro-7-propyl-9H-fluorene (PubChem CID 22044778) has the molecular formula C22H17ClF2 and a molecular weight of 354.83 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-3-fluoro-7-propyl-9H-fluorene.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-3-fluoro-7-propyl-9H-fluorene
PubChem CID22044778
Molecular FormulaC22H17ClF2
Molecular Weight354.83 g/mol
Exact Mass354.10
IUPAC Name2-(4-chloro-3-fluorophenyl)-3-fluoro-7-propyl-9H-fluorene
SMILESCCCc1ccc2c(c1)Cc1cc(-c3ccc(Cl)c(F)c3)c(F)cc1-2
InChIInChI=1S/C22H17ClF2/c1-2-3-13-4-6-17-15(8-13)9-16-10-19(21(24)12-18(16)17)14-5-7-20(23)22(25)11-14/h4-8,10-12H,2-3,9H2,1H3
InChIKeyPNIVDBBAVBHVBL-UHFFFAOYSA-N
XLogP6.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.83
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-3-fluoro-7-propyl-9H-fluorene?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-3-fluoro-7-propyl-9H-fluorene (CID 22044778) is 2-(4-chloro-3-fluorophenyl)-3-fluoro-7-propyl-9H-fluorene.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-3-fluoro-7-propyl-9H-fluorene?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-3-fluoro-7-propyl-9H-fluorene is CCCc1ccc2c(c1)Cc1cc(-c3ccc(Cl)c(F)c3)c(F)cc1-2.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-3-fluoro-7-propyl-9H-fluorene?
The InChIKey is PNIVDBBAVBHVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2/c1-2-3-13-4-6-17-15(8-13)9-16-10-19(21(24)12-18(16)17)14-5-7-20(23)22(25)11-14/h4-8,10-12H,2-3,9H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-3-fluoro-7-propyl-9H-fluorene?
2-(4-chloro-3-fluorophenyl)-3-fluoro-7-propyl-9H-fluorene has a molecular weight of 354.83 g/mol, XLogP of 6.81, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-3-fluoro-7-propyl-9H-fluorene is sourced from PubChem (CID 22044778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).