2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene

C20H18F4O — CID 123570903

IUPAC2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene
SMILESCCCc1ccc(C=Cc2cc(F)c(OC=CC(F)F)c(F)c2)cc1
InChIInChI=1S/C20H18F4O/c1-2-3-14-4-6-15(7-5-14)8-9-16-12-17(21)20(18(22)13-16)25-11-10-19(23)24/h4-13,19H,2-3H2,1H3
InChIKeyLNFKPHCSHRBLLO-UHFFFAOYSA-N
MW350.36 g/mol
LogP6.25
Rot. Bonds7

About 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene

2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene (PubChem CID 123570903) has the molecular formula C20H18F4O and a molecular weight of 350.36 g/mol. Its IUPAC name is 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene.

Molecular Properties

Compound Name2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene
PubChem CID123570903
Molecular FormulaC20H18F4O
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC Name2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene
SMILESCCCc1ccc(C=Cc2cc(F)c(OC=CC(F)F)c(F)c2)cc1
InChIInChI=1S/C20H18F4O/c1-2-3-14-4-6-15(7-5-14)8-9-16-12-17(21)20(18(22)13-16)25-11-10-19(23)24/h4-13,19H,2-3H2,1H3
InChIKeyLNFKPHCSHRBLLO-UHFFFAOYSA-N
XLogP6.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.36
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(2-fluoro-4-propylphenyl)ethyl]benzene
CID 123803094
2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]phenyl]benzene
CID 123728436
[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl] 4-propylbenzoate
CID 123772310
2-[4-[2-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]ethyl]phenyl]-5-propylpyridine
CID 123829749
2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine
CID 123713603
2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-[2-fluoro-4-(2-fluoro-4-propylphenyl)phenyl]ethynyl]benzene
CID 123963694
[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl] 2-fluoro-4-(2-fluoro-4-propylphenyl)benzoate
CID 123692276
1-chloro-2-[[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenoxy]-difluoromethyl]-3-fluoro-5-(2-fluoro-4-propylphenyl)benzene
CID 123660207
1-chloro-5-[difluoro-(4-pentylphenyl)methoxy]-2-(3,3-difluoroprop-1-enoxy)-3-fluorobenzene
CID 123390177
2-[[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
CID 123990446
4-[(E)-2-(4-propylphenyl)ethenyl]aniline
CID 143367381
1-[(E)-prop-1-enyl]-4-[2-(4-propylphenyl)ethyl]benzene
CID 22991601

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene?
The IUPAC name of 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene (CID 123570903) is 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene.
What is the SMILES notation for 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene?
The canonical SMILES for 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene is CCCc1ccc(C=Cc2cc(F)c(OC=CC(F)F)c(F)c2)cc1.
What is the InChIKey of 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene?
The InChIKey is LNFKPHCSHRBLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4O/c1-2-3-14-4-6-15(7-5-14)8-9-16-12-17(21)20(18(22)13-16)25-11-10-19(23)24/h4-13,19H,2-3H2,1H3.
What are the key properties of 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene?
2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene has a molecular weight of 350.36 g/mol, XLogP of 6.25, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluoroprop-1-enoxy)-1,3-difluoro-5-[2-(4-propylphenyl)ethenyl]benzene is sourced from PubChem (CID 123570903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).