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

C25H19F7O — CID 139883527

IUPAC2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene
SMILESCCCCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1F
InChIInChI=1S/C25H19F7O/c1-2-3-4-5-13-6-7-16-14(8-13)9-18-17(16)12-19(26)22(23(18)29)15-10-20(27)24(21(28)11-15)33-25(30,31)32/h6-8,10-12H,2-5,9H2,1H3
InChIKeyXBWVFUUSLIKRTO-UHFFFAOYSA-N
MW468.41 g/mol
LogP8.11
Rot. Bonds6

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

2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene (PubChem CID 139883527) has the molecular formula C25H19F7O and a molecular weight of 468.41 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene
PubChem CID139883527
Molecular FormulaC25H19F7O
Molecular Weight468.41 g/mol
Exact Mass468.13
IUPAC Name2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene
SMILESCCCCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1F
InChIInChI=1S/C25H19F7O/c1-2-3-4-5-13-6-7-16-14(8-13)9-18-17(16)12-19(26)22(23(18)29)15-10-20(27)24(21(28)11-15)33-25(30,31)32/h6-8,10-12H,2-5,9H2,1H3
InChIKeyXBWVFUUSLIKRTO-UHFFFAOYSA-N
XLogP8.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.41
LogP ≤ 58.11
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

1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884348
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene
CID 139884229
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139883973
7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139883511
1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene
CID 139883768
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-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene
CID 139883894
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5,7-difluoro-2-hexyl-1,4-dihydronaphthalene
CID 139949009
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139949001
2-[4-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3,5-difluorophenyl]-1,3-difluoro-5-(2-fluoro-4-pentylphenyl)benzene
CID 59329628
1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 22045360

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene?
The IUPAC name of 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene (CID 139883527) is 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene.
What is the SMILES notation for 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene?
The canonical SMILES for 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene is CCCCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2cc(F)c(OC(F)(F)F)c(F)c2)c1F.
What is the InChIKey of 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene?
The InChIKey is XBWVFUUSLIKRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F7O/c1-2-3-4-5-13-6-7-16-14(8-13)9-18-17(16)12-19(26)22(23(18)29)15-10-20(27)24(21(28)11-15)33-25(30,31)32/h6-8,10-12H,2-5,9H2,1H3.
What are the key properties of 2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene?
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene has a molecular weight of 468.41 g/mol, XLogP of 8.11, 6 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]-1,3-difluoro-7-pentyl-9H-fluorene is sourced from PubChem (CID 139883527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).