6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene

C20H17F5O — CID 139961192

IUPAC6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
SMILESCCCC1=Cc2cc(F)c(-c3ccc(OC(F)(F)F)c(F)c3)cc2CC1
InChIInChI=1S/C20H17F5O/c1-2-3-12-4-5-13-9-16(17(21)11-15(13)8-12)14-6-7-19(18(22)10-14)26-20(23,24)25/h6-11H,2-5H2,1H3
InChIKeyPSJPJVGHUHAKAS-UHFFFAOYSA-N
MW368.35 g/mol
LogP6.66
Rot. Bonds4

About 6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene

6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene (PubChem CID 139961192) has the molecular formula C20H17F5O and a molecular weight of 368.35 g/mol. Its IUPAC name is 6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
PubChem CID139961192
Molecular FormulaC20H17F5O
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
SMILESCCCC1=Cc2cc(F)c(-c3ccc(OC(F)(F)F)c(F)c3)cc2CC1
InChIInChI=1S/C20H17F5O/c1-2-3-12-4-5-13-9-16(17(21)11-15(13)8-12)14-6-7-19(18(22)10-14)26-20(23,24)25/h6-11H,2-5H2,1H3
InChIKeyPSJPJVGHUHAKAS-UHFFFAOYSA-N
XLogP6.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.35
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
CID 139960579
3-(4-butyl-2,6-difluorophenyl)-6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139961399
6-chloro-3-propyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961235
6,8-difluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pentyl-1,2-dihydronaphthalene
CID 139952098
3-fluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-heptyl-9,10-dihydrophenanthrene
CID 139883300
8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139960658
2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene
CID 118474676
3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene
CID 139961465
6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961115
3-[2-(4-butylcyclohexyl)ethyl]-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961406
6-fluoro-3-propyl-7-[2-[4-(trifluoromethoxy)phenyl]ethynyl]-1,2-dihydronaphthalene
CID 139961380
6,8-difluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-pentylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139952091

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene?
The IUPAC name of 6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene (CID 139961192) is 6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene.
What is the SMILES notation for 6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene?
The canonical SMILES for 6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene is CCCC1=Cc2cc(F)c(-c3ccc(OC(F)(F)F)c(F)c3)cc2CC1.
What is the InChIKey of 6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene?
The InChIKey is PSJPJVGHUHAKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F5O/c1-2-3-12-4-5-13-9-16(17(21)11-15(13)8-12)14-6-7-19(18(22)10-14)26-20(23,24)25/h6-11H,2-5H2,1H3.
What are the key properties of 6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene?
6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene has a molecular weight of 368.35 g/mol, XLogP of 6.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene is sourced from PubChem (CID 139961192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).