2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene

C24H21F3 — CID 139883468

IUPAC2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene
SMILESCCCCc1ccc2c(c1)Cc1cc(-c3ccc(C(F)(F)F)cc3)ccc1-2
InChIInChI=1S/C24H21F3/c1-2-3-4-16-5-11-22-19(13-16)15-20-14-18(8-12-23(20)22)17-6-9-21(10-7-17)24(25,26)27/h5-14H,2-4,15H2,1H3
InChIKeySCCZFDCYSRTEHT-UHFFFAOYSA-N
MW366.43 g/mol
LogP7.29
Rot. Bonds4

About 2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene

2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene (PubChem CID 139883468) has the molecular formula C24H21F3 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene.

Molecular Properties

Compound Name2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene
PubChem CID139883468
Molecular FormulaC24H21F3
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Name2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene
SMILESCCCCc1ccc2c(c1)Cc1cc(-c3ccc(C(F)(F)F)cc3)ccc1-2
InChIInChI=1S/C24H21F3/c1-2-3-4-16-5-11-22-19(13-16)15-20-14-18(8-12-23(20)22)17-6-9-21(10-7-17)24(25,26)27/h5-14H,2-4,15H2,1H3
InChIKeySCCZFDCYSRTEHT-UHFFFAOYSA-N
XLogP7.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.43
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 22045482
2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9,10-dihydrophenanthrene
CID 139883992
1-(trifluoromethyl)-4-(4-undecylphenyl)benzene
CID 19095048
1-hexyl-3-[4-(trifluoromethyl)phenyl]benzene
CID 91286869
7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene
CID 139883423
7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene
CID 139883707
7-butyl-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluoro-9,10-dihydrophenanthrene
CID 139883296
2-(9H-fluoren-2-yl)-5-[5-(7-hexyl-9H-fluoren-2-yl)thiophen-2-yl]thiophene
CID 71446326
2-hexyl-9H-fluorene
CID 2801684
2-methyl-4-propyl-1-[4-(trifluoromethyl)phenyl]benzene
CID 142940681
2-decyl-9H-fluorene
CID 21095311
4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile
CID 22044840

Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene?
The IUPAC name of 2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene (CID 139883468) is 2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene.
What is the SMILES notation for 2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene?
The canonical SMILES for 2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene is CCCCc1ccc2c(c1)Cc1cc(-c3ccc(C(F)(F)F)cc3)ccc1-2.
What is the InChIKey of 2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene?
The InChIKey is SCCZFDCYSRTEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3/c1-2-3-4-16-5-11-22-19(13-16)15-20-14-18(8-12-23(20)22)17-6-9-21(10-7-17)24(25,26)27/h5-14H,2-4,15H2,1H3.
What are the key properties of 2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene?
2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene has a molecular weight of 366.43 g/mol, XLogP of 7.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene is sourced from PubChem (CID 139883468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).