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

C20H17F5O — CID 139960579

IUPAC8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
SMILESCCCC1=Cc2ccc(-c3ccc(OC(F)(F)F)c(F)c3)c(F)c2CC1
InChIInChI=1S/C20H17F5O/c1-2-3-12-4-7-15-13(10-12)5-8-16(19(15)22)14-6-9-18(17(21)11-14)26-20(23,24)25/h5-6,8-11H,2-4,7H2,1H3
InChIKeyNDAWOJXJKFTVNJ-UHFFFAOYSA-N
MW368.35 g/mol
LogP6.66
Rot. Bonds4

About 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene

8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene (PubChem CID 139960579) has the molecular formula C20H17F5O and a molecular weight of 368.35 g/mol. Its IUPAC name is 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
PubChem CID139960579
Molecular FormulaC20H17F5O
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
SMILESCCCC1=Cc2ccc(-c3ccc(OC(F)(F)F)c(F)c3)c(F)c2CC1
InChIInChI=1S/C20H17F5O/c1-2-3-12-4-7-15-13(10-12)5-8-16(19(15)22)14-6-9-18(17(21)11-14)26-20(23,24)25/h5-6,8-11H,2-4,7H2,1H3
InChIKeyNDAWOJXJKFTVNJ-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-[2-(4-propylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139960658
6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
CID 139961192
6,8-difluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-pentyl-1,2-dihydronaphthalene
CID 139952098
6,8-difluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-[2-(4-pentylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139952091
8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139960330
7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-3-[2-(4-hexylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139960524
3-(2,6-difluoro-4-propylphenyl)-7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-1,2-dihydronaphthalene
CID 139960496
3-(2,6-difluoro-4-propylphenyl)-8-fluoro-7-[4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139960351
2,3-difluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 118858642
2-fluoro-1-[3-fluoro-4-(trifluoromethoxy)phenyl]-4-[4-(4-propylphenyl)phenyl]benzene
CID 118474676
3-butyl-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960444
6,8-difluoro-3-(2-fluoro-4-pentylphenyl)-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139952140

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene?
The IUPAC name of 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene (CID 139960579) is 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene.
What is the SMILES notation for 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene?
The canonical SMILES for 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene is CCCC1=Cc2ccc(-c3ccc(OC(F)(F)F)c(F)c3)c(F)c2CC1.
What is the InChIKey of 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene?
The InChIKey is NDAWOJXJKFTVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F5O/c1-2-3-12-4-7-15-13(10-12)5-8-16(19(15)22)14-6-9-18(17(21)11-14)26-20(23,24)25/h5-6,8-11H,2-4,7H2,1H3.
What are the key properties of 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene?
8-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 8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene is sourced from PubChem (CID 139960579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).