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

C19H18F4O — CID 58555755

IUPAC2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane
SMILESCCCC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)O1
InChIInChI=1S/C19H18F4O/c1-2-3-13-5-7-18(24-13)11-4-6-14(15(20)8-11)12-9-16(21)19(23)17(22)10-12/h4,6,8-10,13,18H,2-3,5,7H2,1H3
InChIKeyWYLWBZNWXWKWIU-UHFFFAOYSA-N
MW338.34 g/mol
LogP5.93
Rot. Bonds4

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

2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane (PubChem CID 58555755) has the molecular formula C19H18F4O and a molecular weight of 338.34 g/mol. Its IUPAC name is 2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane.

Molecular Properties

Compound Name2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane
PubChem CID58555755
Molecular FormulaC19H18F4O
Molecular Weight338.34 g/mol
Exact Mass338.13
IUPAC Name2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane
SMILESCCCC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)O1
InChIInChI=1S/C19H18F4O/c1-2-3-13-5-7-18(24-13)11-4-6-14(15(20)8-11)12-9-16(21)19(23)17(22)10-12/h4,6,8-10,13,18H,2-3,5,7H2,1H3
InChIKeyWYLWBZNWXWKWIU-UHFFFAOYSA-N
XLogP5.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.34
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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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-fluoro-4-(trifluoromethyl)phenyl]phenyl]-5-propyloxolane
CID 58555826
2-[2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]ethyl]-5-propyloxolane
CID 58555817
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-methyloxane
CID 58937386
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyl-1,3-dioxane
CID 54250531
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
2-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-5-propyloxolane
CID 58555666
5-butyl-2-[4-[3,5-difluoro-4-[(3,4,5-trifluorophenyl)methoxy]phenyl]-3-fluorophenyl]oxane
CID 130191374
2-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-3-fluorophenyl]-5-propyloxane
CID 67732127
1,2,3-trifluoro-5-[2-fluoro-4-(2,2,6-trideuterio-4-pentylcyclohexyl)phenyl]benzene
CID 58839945
4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexan-1-ol
CID 141391242
4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]cyclohexane-1-thiol
CID 134374972

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane?
The IUPAC name of 2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane (CID 58555755) is 2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane.
What is the SMILES notation for 2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane?
The canonical SMILES for 2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane is CCCC1CCC(c2ccc(-c3cc(F)c(F)c(F)c3)c(F)c2)O1.
What is the InChIKey of 2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane?
The InChIKey is WYLWBZNWXWKWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F4O/c1-2-3-13-5-7-18(24-13)11-4-6-14(15(20)8-11)12-9-16(21)19(23)17(22)10-12/h4,6,8-10,13,18H,2-3,5,7H2,1H3.
What are the key properties of 2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane?
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane has a molecular weight of 338.34 g/mol, XLogP of 5.93, 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-(3,4,5-trifluorophenyl)phenyl]-5-propyloxolane is sourced from PubChem (CID 58555755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).