1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene

C23H18F4O — CID 22045360

IUPAC1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
SMILESCCCc1ccc2c(c1)Cc1c-2ccc(-c2ccc(OC(F)(F)F)cc2)c1F
InChIInChI=1S/C23H18F4O/c1-2-3-14-4-9-18-16(12-14)13-21-20(18)11-10-19(22(21)24)15-5-7-17(8-6-15)28-23(25,26)27/h4-12H,2-3,13H2,1H3
InChIKeyGUEGGUJCAFTBHR-UHFFFAOYSA-N
MW386.39 g/mol
LogP6.91
Rot. Bonds4

About 1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene

1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene (PubChem CID 22045360) has the molecular formula C23H18F4O and a molecular weight of 386.39 g/mol. Its IUPAC name is 1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene.

Molecular Properties

Compound Name1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
PubChem CID22045360
Molecular FormulaC23H18F4O
Molecular Weight386.39 g/mol
Exact Mass386.13
IUPAC Name1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
SMILESCCCc1ccc2c(c1)Cc1c-2ccc(-c2ccc(OC(F)(F)F)cc2)c1F
InChIInChI=1S/C23H18F4O/c1-2-3-14-4-9-18-16(12-14)13-21-20(18)11-10-19(22(21)24)15-5-7-17(8-6-15)28-23(25,26)27/h4-12H,2-3,13H2,1H3
InChIKeyGUEGGUJCAFTBHR-UHFFFAOYSA-N
XLogP6.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.39
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139883511
1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884348
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139883973
2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139884200
7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884381
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417
2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139960883
2,3-difluoro-1-(4-hexylphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388526
3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139960351
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene
CID 139883527
7-ethyl-1-fluoro-2-(3,4,5-trifluorophenyl)-9H-fluorene
CID 139883301
2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene
CID 139883894

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene?
The IUPAC name of 1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene (CID 22045360) is 1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene.
What is the SMILES notation for 1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene?
The canonical SMILES for 1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene is CCCc1ccc2c(c1)Cc1c-2ccc(-c2ccc(OC(F)(F)F)cc2)c1F.
What is the InChIKey of 1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene?
The InChIKey is GUEGGUJCAFTBHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4O/c1-2-3-14-4-9-18-16(12-14)13-21-20(18)11-10-19(22(21)24)15-5-7-17(8-6-15)28-23(25,26)27/h4-12H,2-3,13H2,1H3.
What are the key properties of 1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene?
1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene has a molecular weight of 386.39 g/mol, XLogP of 6.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene is sourced from PubChem (CID 22045360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).