3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene

C23H18F4 — CID 22045482

IUPAC3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene
SMILESCCCc1ccc2c(c1)Cc1cc(-c3ccc(C(F)(F)F)cc3)c(F)cc1-2
InChIInChI=1S/C23H18F4/c1-2-3-14-4-9-19-16(10-14)11-17-12-21(22(24)13-20(17)19)15-5-7-18(8-6-15)23(25,26)27/h4-10,12-13H,2-3,11H2,1H3
InChIKeyFRHPHRQJUMAWMT-UHFFFAOYSA-N
MW370.39 g/mol
LogP7.04
Rot. Bonds3

About 3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene

3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene (PubChem CID 22045482) has the molecular formula C23H18F4 and a molecular weight of 370.39 g/mol. Its IUPAC name is 3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene.

Molecular Properties

Compound Name3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene
PubChem CID22045482
Molecular FormulaC23H18F4
Molecular Weight370.39 g/mol
Exact Mass370.13
IUPAC Name3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene
SMILESCCCc1ccc2c(c1)Cc1cc(-c3ccc(C(F)(F)F)cc3)c(F)cc1-2
InChIInChI=1S/C23H18F4/c1-2-3-14-4-9-19-16(10-14)11-17-12-21(22(24)13-20(17)19)15-5-7-18(8-6-15)23(25,26)27/h4-10,12-13H,2-3,11H2,1H3
InChIKeyFRHPHRQJUMAWMT-UHFFFAOYSA-N
XLogP7.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.39
LogP ≤ 57.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene
CID 22044997
7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene
CID 139883423
2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene
CID 139884027
2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 139883468
7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884381
4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile
CID 22044840
2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene
CID 142940681
7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene
CID 139883454
7-butyl-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluoro-9,10-dihydrophenanthrene
CID 139883296
7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene
CID 139883707
2-fluoro-4-[2-(4-propylcyclohexyl)ethyl]-1-[4-(trifluoromethyl)phenyl]benzene
CID 54061362
2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene
CID 139883628

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene?
The IUPAC name of 3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene (CID 22045482) is 3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene.
What is the SMILES notation for 3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene?
The canonical SMILES for 3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene is CCCc1ccc2c(c1)Cc1cc(-c3ccc(C(F)(F)F)cc3)c(F)cc1-2.
What is the InChIKey of 3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene?
The InChIKey is FRHPHRQJUMAWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4/c1-2-3-14-4-9-19-16(10-14)11-17-12-21(22(24)13-20(17)19)15-5-7-18(8-6-15)23(25,26)27/h4-10,12-13H,2-3,11H2,1H3.
What are the key properties of 3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene?
3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene has a molecular weight of 370.39 g/mol, XLogP of 7.04, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene is sourced from PubChem (CID 22045482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).