2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene

C26H25F3 — CID 139883894

IUPAC2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene
SMILESCCCCCCCc1ccc2c(c1)Cc1c-2ccc(-c2ccc(F)c(F)c2)c1F
InChIInChI=1S/C26H25F3/c1-2-3-4-5-6-7-17-8-10-20-19(14-17)15-23-22(20)12-11-21(26(23)29)18-9-13-24(27)25(28)16-18/h8-14,16H,2-7,15H2,1H3
InChIKeyWJFMPKWNFDGXOZ-UHFFFAOYSA-N
MW394.48 g/mol
LogP7.86
Rot. Bonds7

About 2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene

2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene (PubChem CID 139883894) has the molecular formula C26H25F3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene
PubChem CID139883894
Molecular FormulaC26H25F3
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC Name2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene
SMILESCCCCCCCc1ccc2c(c1)Cc1c-2ccc(-c2ccc(F)c(F)c2)c1F
InChIInChI=1S/C26H25F3/c1-2-3-4-5-6-7-17-8-10-20-19(14-17)15-23-22(20)12-11-21(26(23)29)18-9-13-24(27)25(28)16-18/h8-14,16H,2-7,15H2,1H3
InChIKeyWJFMPKWNFDGXOZ-UHFFFAOYSA-N
XLogP7.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 57.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-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

Related Compounds

2-fluoro-4-(1-fluoro-7-heptyl-9H-fluoren-2-yl)benzonitrile
CID 22045515
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139883973
2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139884200
1-fluoro-7-hexyl-2-(3,4,5-trifluorophenyl)-9,10-dihydrophenanthrene
CID 139883671
1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene
CID 139883768
2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene
CID 139884027
7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene
CID 139883301
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene
CID 139883527
2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene
CID 139884423
1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884348
2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9,10-dihydrophenanthrene
CID 139884041
1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 22045360

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene?
The IUPAC name of 2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene (CID 139883894) is 2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene?
The canonical SMILES for 2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene is CCCCCCCc1ccc2c(c1)Cc1c-2ccc(-c2ccc(F)c(F)c2)c1F.
What is the InChIKey of 2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene?
The InChIKey is WJFMPKWNFDGXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3/c1-2-3-4-5-6-7-17-8-10-20-19(14-17)15-23-22(20)12-11-21(26(23)29)18-9-13-24(27)25(28)16-18/h8-14,16H,2-7,15H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene?
2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene has a molecular weight of 394.48 g/mol, XLogP of 7.86, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene is sourced from PubChem (CID 139883894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).