1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene

C27H24F6 — CID 139883768

IUPAC1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene
SMILESCCCCCCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2ccc(C(F)(F)F)c(F)c2)c1F
InChIInChI=1S/C27H24F6/c1-2-3-4-5-6-7-16-8-10-19-18(12-16)13-21-20(19)15-24(29)25(26(21)30)17-9-11-22(23(28)14-17)27(31,32)33/h8-12,14-15H,2-7,13H2,1H3
InChIKeyUUSIGPYJFJSUPL-UHFFFAOYSA-N
MW462.48 g/mol
LogP8.87
Rot. Bonds7

About 1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene

1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene (PubChem CID 139883768) has the molecular formula C27H24F6 and a molecular weight of 462.48 g/mol. Its IUPAC name is 1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene.

Molecular Properties

Compound Name1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene
PubChem CID139883768
Molecular FormulaC27H24F6
Molecular Weight462.48 g/mol
Exact Mass462.18
IUPAC Name1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene
SMILESCCCCCCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2ccc(C(F)(F)F)c(F)c2)c1F
InChIInChI=1S/C27H24F6/c1-2-3-4-5-6-7-16-8-10-19-18(12-16)13-21-20(19)15-24(29)25(26(21)30)17-9-11-22(23(28)14-17)27(31,32)33/h8-12,14-15H,2-7,13H2,1H3
InChIKeyUUSIGPYJFJSUPL-UHFFFAOYSA-N
XLogP8.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.48
LogP ≤ 58.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene
CID 139883527
1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884348
7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139883511
2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene
CID 139883894
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139883973
2-fluoro-4-(1-fluoro-7-heptyl-9H-fluoren-2-yl)benzonitrile
CID 22045515
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene
CID 139884229
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9,10-dihydrophenanthrene
CID 139883992
2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139884200
2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene
CID 139884027
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139948920
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139949001

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene?
The IUPAC name of 1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene (CID 139883768) is 1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene.
What is the SMILES notation for 1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene?
The canonical SMILES for 1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene is CCCCCCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2ccc(C(F)(F)F)c(F)c2)c1F.
What is the InChIKey of 1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene?
The InChIKey is UUSIGPYJFJSUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F6/c1-2-3-4-5-6-7-16-8-10-19-18(12-16)13-21-20(19)15-24(29)25(26(21)30)17-9-11-22(23(28)14-17)27(31,32)33/h8-12,14-15H,2-7,13H2,1H3.
What are the key properties of 1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene?
1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene has a molecular weight of 462.48 g/mol, XLogP of 8.87, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene is sourced from PubChem (CID 139883768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).