2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene

C26H25F3O — CID 139884200

IUPAC2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
SMILESCCCCCCc1ccc2c(c1)Cc1c-2ccc(-c2ccc(OC(F)F)cc2)c1F
InChIInChI=1S/C26H25F3O/c1-2-3-4-5-6-17-7-12-21-19(15-17)16-24-23(21)14-13-22(25(24)27)18-8-10-20(11-9-18)30-26(28)29/h7-15,26H,2-6,16H2,1H3
InChIKeyYLDACTYCCQIWID-UHFFFAOYSA-N
MW410.48 g/mol
LogP7.79
Rot. Bonds8

About 2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene

2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene (PubChem CID 139884200) has the molecular formula C26H25F3O and a molecular weight of 410.48 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
PubChem CID139884200
Molecular FormulaC26H25F3O
Molecular Weight410.48 g/mol
Exact Mass410.19
IUPAC Name2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
SMILESCCCCCCc1ccc2c(c1)Cc1c-2ccc(-c2ccc(OC(F)F)cc2)c1F
InChIInChI=1S/C26H25F3O/c1-2-3-4-5-6-17-7-12-21-19(15-17)16-24-23(21)14-13-22(25(24)27)18-8-10-20(11-9-18)30-26(28)29/h7-15,26H,2-6,16H2,1H3
InChIKeyYLDACTYCCQIWID-UHFFFAOYSA-N
XLogP7.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.48
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9,10-dihydrophenanthrene
CID 139884041
2-(3,4-difluorophenyl)-1-fluoro-7-heptyl-9H-fluorene
CID 139883894
2-[2-[4-(difluoromethoxy)phenyl]ethynyl]-7-pentyl-9H-fluorene
CID 139883963
2-fluoro-4-(1-fluoro-7-heptyl-9H-fluoren-2-yl)benzonitrile
CID 22045515
2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene
CID 139883973
1-fluoro-7-propyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 22045360
2-[4-(difluoromethoxy)phenyl]-7-ethyl-1,3-difluoro-9H-fluorene
CID 139884145
1-(difluoromethoxy)-4-(4-heptylphenyl)benzene
CID 19436442
1,3-difluoro-7-pentyl-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884348
7-butyl-1,3-difluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139883511
1-fluoro-7-hexyl-2-(3,4,5-trifluorophenyl)-9,10-dihydrophenanthrene
CID 139883671
1,3-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]-7-heptyl-9H-fluorene
CID 139883768

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene (CID 139884200) is 2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene is CCCCCCc1ccc2c(c1)Cc1c-2ccc(-c2ccc(OC(F)F)cc2)c1F.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene?
The InChIKey is YLDACTYCCQIWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3O/c1-2-3-4-5-6-17-7-12-21-19(15-17)16-24-23(21)14-13-22(25(24)27)18-8-10-20(11-9-18)30-26(28)29/h7-15,26H,2-6,16H2,1H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene?
2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene has a molecular weight of 410.48 g/mol, XLogP of 7.79, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]-1-fluoro-7-hexyl-9H-fluorene is sourced from PubChem (CID 139884200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).