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

C20H19F5O — CID 58555826

IUPAC2-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-propyloxolane
SMILESCCCC1CCC(c2ccc(-c3ccc(C(F)(F)F)c(F)c3)c(F)c2)O1
InChIInChI=1S/C20H19F5O/c1-2-3-14-6-9-19(26-14)13-4-7-15(17(21)11-13)12-5-8-16(18(22)10-12)20(23,24)25/h4-5,7-8,10-11,14,19H,2-3,6,9H2,1H3
InChIKeyLTENJKCJISWLEA-UHFFFAOYSA-N
MW370.36 g/mol
LogP6.67
Rot. Bonds4

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

2-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-propyloxolane (PubChem CID 58555826) has the molecular formula C20H19F5O and a molecular weight of 370.36 g/mol. Its IUPAC name is 2-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-propyloxolane.

Molecular Properties

Compound Name2-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-propyloxolane
PubChem CID58555826
Molecular FormulaC20H19F5O
Molecular Weight370.36 g/mol
Exact Mass370.14
IUPAC Name2-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-propyloxolane
SMILESCCCC1CCC(c2ccc(-c3ccc(C(F)(F)F)c(F)c3)c(F)c2)O1
InChIInChI=1S/C20H19F5O/c1-2-3-14-6-9-19(26-14)13-4-7-15(17(21)11-13)12-5-8-16(18(22)10-12)20(23,24)25/h4-5,7-8,10-11,14,19H,2-3,6,9H2,1H3
InChIKeyLTENJKCJISWLEA-UHFFFAOYSA-N
XLogP6.67
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 ≤ 56.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3-fluorophenyl]-5-propyloxolane
CID 58555511
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane
CID 58555755
2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane
CID 58555666
2-[4-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3-fluorophenyl]phenyl]-5-propyloxolane
CID 58555728
4-[1,1-difluoro-3-(4-propylcyclohexyl)propoxy]-2-fluoro-1-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]benzene
CID 59048874
5-[difluoro-(4-pentylphenyl)methoxy]-2-[3-fluoro-4-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]-1,3-dioxane
CID 59329662
(2S,5R)-2-[(2R)-3,3-dimethylbutan-2-yl]-5-[3-fluoro-4-(trifluoromethyl)phenyl]oxolane
CID 90087094
2-[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]ethyl]-5-propyloxolane
CID 58555817
[3-fluoro-4-(trifluoromethyl)phenyl] 5-propyloxolane-2-carboxylate
CID 58555608
2-[difluoro-[4-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]phenoxy]methyl]-1,3-difluoro-5-(4-pentylcyclohexyl)benzene
CID 59328778
1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 147843126
(5R)-2-[4-chloro-2-(trifluoromethyl)phenyl]-5-ethyloxolane
CID 118685866

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-propyloxolane?
The IUPAC name of 2-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-propyloxolane (CID 58555826) is 2-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-propyloxolane.
What is the SMILES notation for 2-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-propyloxolane?
The canonical SMILES for 2-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-propyloxolane is CCCC1CCC(c2ccc(-c3ccc(C(F)(F)F)c(F)c3)c(F)c2)O1.
What is the InChIKey of 2-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-propyloxolane?
The InChIKey is LTENJKCJISWLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5O/c1-2-3-14-6-9-19(26-14)13-4-7-15(17(21)11-13)12-5-8-16(18(22)10-12)20(23,24)25/h4-5,7-8,10-11,14,19H,2-3,6,9H2,1H3.
What are the key properties of 2-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-propyloxolane?
2-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-propyloxolane has a molecular weight of 370.36 g/mol, XLogP of 6.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-propyloxolane is sourced from PubChem (CID 58555826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).