2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene

C27H21F7O — CID 139948831

IUPAC2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
SMILESCCCCc1cc(F)c(C2=CCc3c(cc(F)c(-c4ccc(OC(F)(F)F)cc4)c3F)C2)c(F)c1
InChIInChI=1S/C27H21F7O/c1-2-3-4-15-11-21(28)24(22(29)12-15)17-7-10-20-18(13-17)14-23(30)25(26(20)31)16-5-8-19(9-6-16)35-27(32,33)34/h5-9,11-12,14H,2-4,10,13H2,1H3
InChIKeyKUJBSVQYKLQNON-UHFFFAOYSA-N
MW494.45 g/mol
LogP8.33
Rot. Bonds6

About 2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene

2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene (PubChem CID 139948831) has the molecular formula C27H21F7O and a molecular weight of 494.45 g/mol. Its IUPAC name is 2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
PubChem CID139948831
Molecular FormulaC27H21F7O
Molecular Weight494.45 g/mol
Exact Mass494.15
IUPAC Name2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
SMILESCCCCc1cc(F)c(C2=CCc3c(cc(F)c(-c4ccc(OC(F)(F)F)cc4)c3F)C2)c(F)c1
InChIInChI=1S/C27H21F7O/c1-2-3-4-15-11-21(28)24(22(29)12-15)17-7-10-20-18(13-17)14-23(30)25(26(20)31)16-5-8-19(9-6-16)35-27(32,33)34/h5-9,11-12,14H,2-4,10,13H2,1H3
InChIKeyKUJBSVQYKLQNON-UHFFFAOYSA-N
XLogP8.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.45
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene 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

5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139949001
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
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139948920
6-(2,6-difluoro-4-pentylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile
CID 139948656
2-butyl-5,7-difluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
CID 139948913
2-(4-ethyl-2-fluorophenyl)-5-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139960883
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5,7-difluoro-2-hexyl-1,4-dihydronaphthalene
CID 139949009
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852214
2-(2,6-difluoro-4-pentylphenyl)-5-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139960805
2-(4-butyl-2-fluorophenyl)-5-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139960984
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5,7-difluoro-2-propyl-1,4-dihydronaphthalene
CID 139948944

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene?
The IUPAC name of 2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene (CID 139948831) is 2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene.
What is the SMILES notation for 2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene?
The canonical SMILES for 2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene is CCCCc1cc(F)c(C2=CCc3c(cc(F)c(-c4ccc(OC(F)(F)F)cc4)c3F)C2)c(F)c1.
What is the InChIKey of 2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene?
The InChIKey is KUJBSVQYKLQNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F7O/c1-2-3-4-15-11-21(28)24(22(29)12-15)17-7-10-20-18(13-17)14-23(30)25(26(20)31)16-5-8-19(9-6-16)35-27(32,33)34/h5-9,11-12,14H,2-4,10,13H2,1H3.
What are the key properties of 2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene?
2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene has a molecular weight of 494.45 g/mol, XLogP of 8.33, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene is sourced from PubChem (CID 139948831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).