7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene

C23H20ClF — CID 139883423

IUPAC7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene
SMILESCCCCc1ccc2c(c1)Cc1cc(-c3ccc(Cl)cc3)c(F)cc1-2
InChIInChI=1S/C23H20ClF/c1-2-3-4-15-5-10-20-17(11-15)12-18-13-22(23(25)14-21(18)20)16-6-8-19(24)9-7-16/h5-11,13-14H,2-4,12H2,1H3
InChIKeySJGSXIXGUOXABB-UHFFFAOYSA-N
MW350.86 g/mol
LogP7.06
Rot. Bonds4

About 7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene

7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene (PubChem CID 139883423) has the molecular formula C23H20ClF and a molecular weight of 350.86 g/mol. Its IUPAC name is 7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene.

Molecular Properties

Compound Name7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene
PubChem CID139883423
Molecular FormulaC23H20ClF
Molecular Weight350.86 g/mol
Exact Mass350.12
IUPAC Name7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene
SMILESCCCCc1ccc2c(c1)Cc1cc(-c3ccc(Cl)cc3)c(F)cc1-2
InChIInChI=1S/C23H20ClF/c1-2-3-4-15-5-10-20-17(11-15)12-18-13-22(23(25)14-21(18)20)16-6-8-19(24)9-7-16/h5-11,13-14H,2-4,12H2,1H3
InChIKeySJGSXIXGUOXABB-UHFFFAOYSA-N
XLogP7.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.86
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene
CID 139884027
7-butyl-2-(4-chlorophenyl)-3-fluoro-9,10-dihydrophenanthrene
CID 139883454
2-(4-chlorophenyl)-3-fluoro-7-propyl-9H-fluorene
CID 22044997
4-(7-butyl-3-fluoro-9H-fluoren-2-yl)benzonitrile
CID 22044840
3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 22045482
7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene
CID 139883707
2-(4-chlorophenyl)-7-ethyl-3-fluoro-9,10-dihydrophenanthrene
CID 139883628
7-butyl-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluoro-9,10-dihydrophenanthrene
CID 139883296
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
2-butyl-7-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 139883468
7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884381
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913

Frequently Asked Questions

What is the IUPAC name of 7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene?
The IUPAC name of 7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene (CID 139883423) is 7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene.
What is the SMILES notation for 7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene?
The canonical SMILES for 7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene is CCCCc1ccc2c(c1)Cc1cc(-c3ccc(Cl)cc3)c(F)cc1-2.
What is the InChIKey of 7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene?
The InChIKey is SJGSXIXGUOXABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF/c1-2-3-4-15-5-10-20-17(11-15)12-18-13-22(23(25)14-21(18)20)16-6-8-19(24)9-7-16/h5-11,13-14H,2-4,12H2,1H3.
What are the key properties of 7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene?
7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene has a molecular weight of 350.86 g/mol, XLogP of 7.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene is sourced from PubChem (CID 139883423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).