5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene

C20H19F5O — CID 139852312

IUPAC5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCc2c(cc(F)c(-c3ccc(OC(F)(F)F)cc3)c2F)C1
InChIInChI=1S/C20H19F5O/c1-2-3-12-4-9-16-14(10-12)11-17(21)18(19(16)22)13-5-7-15(8-6-13)26-20(23,24)25/h5-8,11-12H,2-4,9-10H2,1H3
InChIKeyKSJUOIIPABQSQQ-UHFFFAOYSA-N
MW370.36 g/mol
LogP6.44
Rot. Bonds4

About 5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene

5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139852312) has the molecular formula C20H19F5O and a molecular weight of 370.36 g/mol. Its IUPAC name is 5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139852312
Molecular FormulaC20H19F5O
Molecular Weight370.36 g/mol
Exact Mass370.14
IUPAC Name5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCCC1CCc2c(cc(F)c(-c3ccc(OC(F)(F)F)cc3)c2F)C1
InChIInChI=1S/C20H19F5O/c1-2-3-12-4-9-16-14(10-12)11-17(21)18(19(16)22)13-5-7-15(8-6-13)26-20(23,24)25/h5-8,11-12H,2-4,9-10H2,1H3
InChIKeyKSJUOIIPABQSQQ-UHFFFAOYSA-N
XLogP6.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.36
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,8-difluoro-3-[2-(4-propylcyclohexyl)ethyl]-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139952159
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852214
2-[2-(4-ethylphenyl)ethyl]-5,7-difluoro-6-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139853625
6-[4-[2,3-difluoro-4-(trifluoromethoxy)phenyl]cyclohexyl]-5,7-difluoro-2-[2-(4-propylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 139853437
7-fluoro-2-propyl-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853557
2-(2-cyclohexylethyl)-6-(3,4-difluorophenyl)-5,7-difluoro-1,2,3,4-tetrahydronaphthalene
CID 145488504
5,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848586
5,7-difluoro-6-[4-[2-(3-fluoro-4-isothiocyanatophenyl)ethynyl]-3-methylphenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 169279822
7-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139849759
5-[4-[1,1-difluoro-3-(4-propylcyclohexyl)propoxy]phenyl]-1,3-difluoro-2-(4-fluorophenyl)benzene
CID 21353283
5,7-difluoro-2-[2-(2-fluoro-4-methylphenyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848524
2-[2-[3,5-difluoro-4-[4-(trifluoromethoxy)phenyl]phenyl]ethyl]-5-propyl-1,3-dioxane
CID 20656593

Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene (CID 139852312) is 5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene is CCCC1CCc2c(cc(F)c(-c3ccc(OC(F)(F)F)cc3)c2F)C1.
What is the InChIKey of 5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is KSJUOIIPABQSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5O/c1-2-3-12-4-9-16-14(10-12)11-17(21)18(19(16)22)13-5-7-15(8-6-13)26-20(23,24)25/h5-8,11-12H,2-4,9-10H2,1H3.
What are the key properties of 5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene?
5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 370.36 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-2-propyl-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139852312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).