7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene

C24H19F5O — CID 139883511

IUPAC7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
SMILESCCCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2ccc(OC(F)(F)F)cc2)c1F
InChIInChI=1S/C24H19F5O/c1-2-3-4-14-5-10-18-16(11-14)12-20-19(18)13-21(25)22(23(20)26)15-6-8-17(9-7-15)30-24(27,28)29/h5-11,13H,2-4,12H2,1H3
InChIKeyHMPILENPDVPAFQ-UHFFFAOYSA-N
MW418.41 g/mol
LogP7.44
Rot. Bonds5

About 7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene

7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene (PubChem CID 139883511) has the molecular formula C24H19F5O and a molecular weight of 418.41 g/mol. Its IUPAC name is 7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene.

Molecular Properties

Compound Name7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
PubChem CID139883511
Molecular FormulaC24H19F5O
Molecular Weight418.41 g/mol
Exact Mass418.14
IUPAC Name7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
SMILESCCCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2ccc(OC(F)(F)F)cc2)c1F
InChIInChI=1S/C24H19F5O/c1-2-3-4-14-5-10-18-16(11-14)12-20-19(18)13-21(25)22(23(20)26)15-6-8-17(9-7-15)30-24(27,28)29/h5-11,13H,2-4,12H2,1H3
InChIKeyHMPILENPDVPAFQ-UHFFFAOYSA-N
XLogP7.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.41
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884348
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene
CID 139883527
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
1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene
CID 139883768
2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene
CID 139884145
2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139948831
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139883973
7-butyl-2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-3-fluoro-9H-fluorene
CID 139883707
7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884381
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852214
2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139884200

Frequently Asked Questions

What is the IUPAC name of 7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene?
The IUPAC name of 7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene (CID 139883511) is 7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene.
What is the SMILES notation for 7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene?
The canonical SMILES for 7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene is CCCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2ccc(OC(F)(F)F)cc2)c1F.
What is the InChIKey of 7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene?
The InChIKey is HMPILENPDVPAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F5O/c1-2-3-4-14-5-10-18-16(11-14)12-20-19(18)13-21(25)22(23(20)26)15-6-8-17(9-7-15)30-24(27,28)29/h5-11,13H,2-4,12H2,1H3.
What are the key properties of 7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene?
7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene has a molecular weight of 418.41 g/mol, XLogP of 7.44, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene is sourced from PubChem (CID 139883511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).