5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane

C23H25F3O — CID 126765482

IUPAC5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane
SMILESC/C=C/c1ccc(-c2ccc(C3CCC(CCC)OC3)c(F)c2F)cc1F
InChIInChI=1S/C23H25F3O/c1-3-5-15-7-8-16(13-21(15)24)19-11-12-20(23(26)22(19)25)17-9-10-18(6-4-2)27-14-17/h3,5,7-8,11-13,17-18H,4,6,9-10,14H2,1-2H3/b5-3+
InChIKeyLASDSWSFTRUHBH-HWKANZROSA-N
MW374.45 g/mol
LogP6.87
Rot. Bonds5

About 5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane

5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane (PubChem CID 126765482) has the molecular formula C23H25F3O and a molecular weight of 374.45 g/mol. Its IUPAC name is 5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane.

Molecular Properties

Compound Name5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane
PubChem CID126765482
Molecular FormulaC23H25F3O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane
SMILESC/C=C/c1ccc(-c2ccc(C3CCC(CCC)OC3)c(F)c2F)cc1F
InChIInChI=1S/C23H25F3O/c1-3-5-15-7-8-16(13-21(15)24)19-11-12-20(23(26)22(19)25)17-9-10-18(6-4-2)27-14-17/h3,5,7-8,11-13,17-18H,4,6,9-10,14H2,1-2H3/b5-3+
InChIKeyLASDSWSFTRUHBH-HWKANZROSA-N
XLogP6.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.45
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-[4-[2,3-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 58535782
5-[4-[2,3-difluoro-4-[2-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 58535318
5-[4-[4-(2,3-difluoro-4-propylphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 67733920
5-[4-(4-butyl-3-fluorophenyl)-2,3-difluorophenyl]-2-pentyloxane
CID 126765381
5-[4-(2,3-difluoro-4-propoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764610
5-[4-(4-ethoxy-3-fluorophenyl)-2,3-difluorophenyl]-2-hexyloxane
CID 126765439
5-[2,3-difluoro-4-(3-fluoro-4-methoxyphenyl)phenyl]-2-hexyloxane
CID 126765450
5-[4-(2,3-difluoro-4-hexoxyphenyl)-2-fluorophenyl]-2-propyloxane
CID 126764628
5-[4-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 118603335
5-[4-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-2-fluorophenyl]-2-propyloxane
CID 67733391
5-[4-[4-(2,3-difluoro-4-heptoxyphenyl)phenyl]-2,3-difluorophenyl]-2-propyloxane
CID 67733937
5-[4-[4-[2-(4-ethenyl-2,3-difluorophenyl)ethyl]-2,3-difluorophenyl]-2,3-difluorophenyl]-2-propyloxane
CID 58535303

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane?
The IUPAC name of 5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane (CID 126765482) is 5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane.
What is the SMILES notation for 5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane?
The canonical SMILES for 5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane is C/C=C/c1ccc(-c2ccc(C3CCC(CCC)OC3)c(F)c2F)cc1F.
What is the InChIKey of 5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane?
The InChIKey is LASDSWSFTRUHBH-HWKANZROSA-N. The full InChI is InChI=1S/C23H25F3O/c1-3-5-15-7-8-16(13-21(15)24)19-11-12-20(23(26)22(19)25)17-9-10-18(6-4-2)27-14-17/h3,5,7-8,11-13,17-18H,4,6,9-10,14H2,1-2H3/b5-3+.
What are the key properties of 5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane?
5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane has a molecular weight of 374.45 g/mol, XLogP of 6.87, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-difluoro-4-[3-fluoro-4-[(E)-prop-1-enyl]phenyl]phenyl]-2-propyloxane is sourced from PubChem (CID 126765482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).