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

C24H18F6O — CID 139883707

IUPAC7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene
SMILESCCCCc1ccc2c(c1)Cc1cc(-c3cc(F)c(OC(F)(F)F)c(F)c3)c(F)cc1-2
InChIInChI=1S/C24H18F6O/c1-2-3-4-13-5-6-17-14(7-13)8-15-9-19(20(25)12-18(15)17)16-10-21(26)23(22(27)11-16)31-24(28,29)30/h5-7,9-12H,2-4,8H2,1H3
InChIKeyGFVRAZVYZJNFPB-UHFFFAOYSA-N
MW436.40 g/mol
LogP7.58
Rot. Bonds5

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

7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene (PubChem CID 139883707) has the molecular formula C24H18F6O and a molecular weight of 436.40 g/mol. Its IUPAC name is 7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene.

Molecular Properties

Compound Name7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene
PubChem CID139883707
Molecular FormulaC24H18F6O
Molecular Weight436.40 g/mol
Exact Mass436.13
IUPAC Name7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene
SMILESCCCCc1ccc2c(c1)Cc1cc(-c3cc(F)c(OC(F)(F)F)c(F)c3)c(F)cc1-2
InChIInChI=1S/C24H18F6O/c1-2-3-4-13-5-6-17-14(7-13)8-15-9-19(20(25)12-18(15)17)16-10-21(26)23(22(27)11-16)31-24(28,29)30/h5-7,9-12H,2-4,8H2,1H3
InChIKeyGFVRAZVYZJNFPB-UHFFFAOYSA-N
XLogP7.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.40
LogP ≤ 57.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139883973
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene
CID 139883527
7-butyl-2-(4-chlorophenyl)-3-fluoro-9H-fluorene
CID 139883423
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
CID 139961732
7-butyl-2-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluoro-9,10-dihydrophenanthrene
CID 139883296
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-7-heptyl-9H-fluorene
CID 139883406
3-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-heptyl-9,10-dihydrophenanthrene
CID 139883300
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-butyl-7-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethynyl]-9,10-dihydrophenanthrene
CID 139883297
2-(4-chlorophenyl)-3-fluoro-7-hexyl-9H-fluorene
CID 139884027
3-fluoro-7-propyl-2-[4-(trifluoromethyl)phenyl]-9H-fluorene
CID 22045482

Frequently Asked Questions

What is the IUPAC name of 7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene?
The IUPAC name of 7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene (CID 139883707) is 7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene.
What is the SMILES notation for 7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene?
The canonical SMILES for 7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene is CCCCc1ccc2c(c1)Cc1cc(-c3cc(F)c(OC(F)(F)F)c(F)c3)c(F)cc1-2.
What is the InChIKey of 7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene?
The InChIKey is GFVRAZVYZJNFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F6O/c1-2-3-4-13-5-6-17-14(7-13)8-15-9-19(20(25)12-18(15)17)16-10-21(26)23(22(27)11-16)31-24(28,29)30/h5-7,9-12H,2-4,8H2,1H3.
What are the key properties of 7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene?
7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene has a molecular weight of 436.40 g/mol, XLogP of 7.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene is sourced from PubChem (CID 139883707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).