2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane

C20H20F4O2 — CID 58555666

IUPAC2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane
SMILESCCCC1CCC(c2ccc(-c3ccc(OC(F)(F)F)c(F)c3)cc2)O1
InChIInChI=1S/C20H20F4O2/c1-2-3-16-9-11-18(25-16)14-6-4-13(5-7-14)15-8-10-19(17(21)12-15)26-20(22,23)24/h4-8,10,12,16,18H,2-3,9,11H2,1H3
InChIKeyUDISLELNVULBQN-UHFFFAOYSA-N
MW368.37 g/mol
LogP6.41
Rot. Bonds5

About 2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane

2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane (PubChem CID 58555666) has the molecular formula C20H20F4O2 and a molecular weight of 368.37 g/mol. Its IUPAC name is 2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane.

Molecular Properties

Compound Name2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane
PubChem CID58555666
Molecular FormulaC20H20F4O2
Molecular Weight368.37 g/mol
Exact Mass368.14
IUPAC Name2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane
SMILESCCCC1CCC(c2ccc(-c3ccc(OC(F)(F)F)c(F)c3)cc2)O1
InChIInChI=1S/C20H20F4O2/c1-2-3-16-9-11-18(25-16)14-6-4-13(5-7-14)15-8-10-19(17(21)12-15)26-20(22,23)24/h4-8,10,12,16,18H,2-3,9,11H2,1H3
InChIKeyUDISLELNVULBQN-UHFFFAOYSA-N
XLogP6.41
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.37
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]phenyl]-5-propyloxolane
CID 58555728
2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436057
2-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-propyloxolane
CID 58555826
2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-5-propyloxolane
CID 58555511
2-fluoro-4-[4-[4-(3-methylpentyl)cyclohexyl]phenyl]-1-(trifluoromethoxy)benzene
CID 19702571
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane
CID 58555755
2-[3-fluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyl-1,3-dioxane
CID 140749866
2-fluoro-4-[4-(4-hexylphenyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436396
2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene
CID 58555462
(2R,4aR,8aR)-2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 20809401
CID 22924542
CID 22924542
5-[4-(4-butylcyclohexyl)phenyl]-1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene;1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-[4-(4-pentylcyclohexyl)phenyl]benzene;1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-[4-(4-propylcyclohexyl)phenyl]benzene;5-[4-(4-ethylcyclohexyl)phenyl]-1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]benzene
CID 161310838

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane?
The IUPAC name of 2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane (CID 58555666) is 2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane.
What is the SMILES notation for 2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane?
The canonical SMILES for 2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane is CCCC1CCC(c2ccc(-c3ccc(OC(F)(F)F)c(F)c3)cc2)O1.
What is the InChIKey of 2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane?
The InChIKey is UDISLELNVULBQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4O2/c1-2-3-16-9-11-18(25-16)14-6-4-13(5-7-14)15-8-10-19(17(21)12-15)26-20(22,23)24/h4-8,10,12,16,18H,2-3,9,11H2,1H3.
What are the key properties of 2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane?
2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane has a molecular weight of 368.37 g/mol, XLogP of 6.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane is sourced from PubChem (CID 58555666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).