2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9H-fluorene

C22H17ClF2 — CID 22044619

IUPAC2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9H-fluorene
SMILESCCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C22H17ClF2/c1-2-3-13-4-9-17-15(10-13)11-19-18(17)12-20(24)21(22(19)25)14-5-7-16(23)8-6-14/h4-10,12H,2-3,11H2,1H3
InChIKeyRFXZMPWYELALAL-UHFFFAOYSA-N
MW354.83 g/mol
LogP6.81
Rot. Bonds3

About 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9H-fluorene

2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9H-fluorene (PubChem CID 22044619) has the molecular formula C22H17ClF2 and a molecular weight of 354.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9H-fluorene.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9H-fluorene
PubChem CID22044619
Molecular FormulaC22H17ClF2
Molecular Weight354.83 g/mol
Exact Mass354.10
IUPAC Name2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9H-fluorene
SMILESCCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2ccc(Cl)cc2)c1F
InChIInChI=1S/C22H17ClF2/c1-2-3-13-4-9-17-15(10-13)11-19-18(17)12-20(24)21(22(19)25)14-5-7-16(23)8-6-14/h4-10,12H,2-3,11H2,1H3
InChIKeyRFXZMPWYELALAL-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

Analyze 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9H-fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9H-fluorene?
The IUPAC name of 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9H-fluorene (CID 22044619) is 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9H-fluorene.
What is the SMILES notation for 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9H-fluorene?
The canonical SMILES for 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9H-fluorene is CCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2ccc(Cl)cc2)c1F.
What is the InChIKey of 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9H-fluorene?
The InChIKey is RFXZMPWYELALAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2/c1-2-3-13-4-9-17-15(10-13)11-19-18(17)12-20(24)21(22(19)25)14-5-7-16(23)8-6-14/h4-10,12H,2-3,11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1,3-difluoro-7-propyl-9H-fluorene?
2-(4-chlorophenyl)-1,3-difluoro-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-chlorophenyl)-1,3-difluoro-7-propyl-9H-fluorene is sourced from PubChem (CID 22044619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).