2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene

C26H22F6O — CID 139883973

IUPAC2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
SMILESCCCCCCc1ccc2c(c1)Cc1c-2ccc(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1F
InChIInChI=1S/C26H22F6O/c1-2-3-4-5-6-15-7-8-18-16(11-15)12-21-20(18)10-9-19(24(21)29)17-13-22(27)25(23(28)14-17)33-26(30,31)32/h7-11,13-14H,2-6,12H2,1H3
InChIKeyWANRMUYBUNPDOL-UHFFFAOYSA-N
MW464.45 g/mol
LogP8.36
Rot. Bonds7

About 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene

2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene (PubChem CID 139883973) has the molecular formula C26H22F6O and a molecular weight of 464.45 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
PubChem CID139883973
Molecular FormulaC26H22F6O
Molecular Weight464.45 g/mol
Exact Mass464.16
IUPAC Name2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
SMILESCCCCCCc1ccc2c(c1)Cc1c-2ccc(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1F
InChIInChI=1S/C26H22F6O/c1-2-3-4-5-6-15-7-8-18-16(11-15)12-21-20(18)10-9-19(24(21)29)17-13-22(27)25(23(28)14-17)33-26(30,31)32/h7-11,13-14H,2-6,12H2,1H3
InChIKeyWANRMUYBUNPDOL-UHFFFAOYSA-N
XLogP8.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.45
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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
2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene
CID 139883894
7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene
CID 139883707
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-7-heptyl-9H-fluorene
CID 139883406
2-fluoro-4-(1-fluoro-7-heptyl-9H-fluoren-2-yl)benzonitrile
CID 22045515
1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884348
1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 22045360
1-fluoro-7-hexyl-2-(3,4,5-trifluorophenyl)-9,10-dihydrophenanthrene
CID 139883671
2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139884200
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene
CID 139884229
7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139883511
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
CID 139961732

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene?
The IUPAC name of 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene (CID 139883973) is 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene.
What is the SMILES notation for 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene?
The canonical SMILES for 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene is CCCCCCc1ccc2c(c1)Cc1c-2ccc(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1F.
What is the InChIKey of 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene?
The InChIKey is WANRMUYBUNPDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F6O/c1-2-3-4-5-6-15-7-8-18-16(11-15)12-21-20(18)10-9-19(24(21)29)17-13-22(27)25(23(28)14-17)33-26(30,31)32/h7-11,13-14H,2-6,12H2,1H3.
What are the key properties of 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene?
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene has a molecular weight of 464.45 g/mol, XLogP of 8.36, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene is sourced from PubChem (CID 139883973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).