7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene

C21H14F4 — CID 139883301

IUPAC7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene
SMILESCCc1ccc2c(c1)Cc1c-2ccc(-c2cc(F)c(F)c(F)c2)c1F
InChIInChI=1S/C21H14F4/c1-2-11-3-4-14-12(7-11)8-17-16(14)6-5-15(20(17)24)13-9-18(22)21(25)19(23)10-13/h3-7,9-10H,2,8H2,1H3
InChIKeyOYSQZYZOYLVHNI-UHFFFAOYSA-N
MW342.34 g/mol
LogP6.04
Rot. Bonds2

About 7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene

7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene (PubChem CID 139883301) has the molecular formula C21H14F4 and a molecular weight of 342.34 g/mol. Its IUPAC name is 7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene.

Molecular Properties

Compound Name7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene
PubChem CID139883301
Molecular FormulaC21H14F4
Molecular Weight342.34 g/mol
Exact Mass342.10
IUPAC Name7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene
SMILESCCc1ccc2c(c1)Cc1c-2ccc(-c2cc(F)c(F)c(F)c2)c1F
InChIInChI=1S/C21H14F4/c1-2-11-3-4-14-12(7-11)8-17-16(14)6-5-15(20(17)24)13-9-18(22)21(25)19(23)10-13/h3-7,9-10H,2,8H2,1H3
InChIKeyOYSQZYZOYLVHNI-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.34
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-difluorophenyl)-7-ethyl-1-fluoro-9,10-dihydrophenanthrene
CID 139884423
2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene
CID 139883894
1-fluoro-7-hexyl-2-(3,4,5-trifluorophenyl)-9,10-dihydrophenanthrene
CID 139883671
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139883973
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene
CID 139884229
1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 22045360
2-fluoro-4-(1-fluoro-7-heptyl-9H-fluoren-2-yl)benzonitrile
CID 22045515
2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene
CID 139884145
2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139884200
2-(4-chloro-3-fluorophenyl)-7-ethyl-9,10-dihydrophenanthrene
CID 139883517
5-fluoro-2-hexyl-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139960719
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-ethyl-9,10-dihydrophenanthrene
CID 139883642

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene?
The IUPAC name of 7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene (CID 139883301) is 7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene.
What is the SMILES notation for 7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene?
The canonical SMILES for 7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene is CCc1ccc2c(c1)Cc1c-2ccc(-c2cc(F)c(F)c(F)c2)c1F.
What is the InChIKey of 7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene?
The InChIKey is OYSQZYZOYLVHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4/c1-2-11-3-4-14-12(7-11)8-17-16(14)6-5-15(20(17)24)13-9-18(22)21(25)19(23)10-13/h3-7,9-10H,2,8H2,1H3.
What are the key properties of 7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene?
7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene has a molecular weight of 342.34 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene is sourced from PubChem (CID 139883301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).