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

C25H21F5O — CID 139884348

IUPAC1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
SMILESCCCCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2ccc(OC(F)(F)F)cc2)c1F
InChIInChI=1S/C25H21F5O/c1-2-3-4-5-15-6-11-19-17(12-15)13-21-20(19)14-22(26)23(24(21)27)16-7-9-18(10-8-16)31-25(28,29)30/h6-12,14H,2-5,13H2,1H3
InChIKeyOBJNQEZMFFLSED-UHFFFAOYSA-N
MW432.43 g/mol
LogP7.83
Rot. Bonds6

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

1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene (PubChem CID 139884348) has the molecular formula C25H21F5O and a molecular weight of 432.43 g/mol. Its IUPAC name is 1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene.

Molecular Properties

Compound Name1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
PubChem CID139884348
Molecular FormulaC25H21F5O
Molecular Weight432.43 g/mol
Exact Mass432.15
IUPAC Name1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
SMILESCCCCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2ccc(OC(F)(F)F)cc2)c1F
InChIInChI=1S/C25H21F5O/c1-2-3-4-5-15-6-11-19-17(12-15)13-21-20(19)14-22(26)23(24(21)27)16-7-9-18(10-8-16)31-25(28,29)30/h6-12,14H,2-5,13H2,1H3
InChIKeyOBJNQEZMFFLSED-UHFFFAOYSA-N
XLogP7.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.43
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139883511
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-7-pentyl-9H-fluorene
CID 139883527
1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene
CID 139883768
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
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139883973
2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene
CID 139884145
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852214
2-pentyl-7-(trifluoromethoxy)-9,10-dihydrophenanthrene
CID 18377916
2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139884200
2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139948831
2,3-difluoro-1-(4-hexylphenyl)-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388526

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene?
The IUPAC name of 1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene (CID 139884348) is 1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene.
What is the SMILES notation for 1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene?
The canonical SMILES for 1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene is CCCCCc1ccc2c(c1)Cc1c-2cc(F)c(-c2ccc(OC(F)(F)F)cc2)c1F.
What is the InChIKey of 1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene?
The InChIKey is OBJNQEZMFFLSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F5O/c1-2-3-4-5-15-6-11-19-17(12-15)13-21-20(19)14-22(26)23(24(21)27)16-7-9-18(10-8-16)31-25(28,29)30/h6-12,14H,2-5,13H2,1H3.
What are the key properties of 1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene?
1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene has a molecular weight of 432.43 g/mol, XLogP of 7.83, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene is sourced from PubChem (CID 139884348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).