2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene

C22H15F5O — CID 59207583

IUPAC2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene
SMILESCC=Cc1ccc(-c2ccc(-c3cc(F)c(OC(F)F)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C22H15F5O/c1-2-3-13-4-6-14(7-5-13)15-8-9-17(18(23)10-15)16-11-19(24)21(20(25)12-16)28-22(26)27/h2-12,22H,1H3
InChIKeyRQMFAZYODROTNQ-UHFFFAOYSA-N
MW390.35 g/mol
LogP7.07
Rot. Bonds5

About 2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene

2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene (PubChem CID 59207583) has the molecular formula C22H15F5O and a molecular weight of 390.35 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene
PubChem CID59207583
Molecular FormulaC22H15F5O
Molecular Weight390.35 g/mol
Exact Mass390.10
IUPAC Name2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene
SMILESCC=Cc1ccc(-c2ccc(-c3cc(F)c(OC(F)F)c(F)c3)c(F)c2)cc1
InChIInChI=1S/C22H15F5O/c1-2-3-13-4-6-14(7-5-13)15-8-9-17(18(23)10-15)16-11-19(24)21(20(25)12-16)28-22(26)27/h2-12,22H,1H3
InChIKeyRQMFAZYODROTNQ-UHFFFAOYSA-N
XLogP7.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.35
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethoxy)-1,3-difluoro-5-(4-methylphenyl)benzene
CID 21026870
2,3-difluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-prop-1-enylphenyl)benzene
CID 59547448
2-(difluoromethoxy)-1,3-difluoro-5-[4-(2,4,6-trifluorophenyl)phenyl]benzene
CID 18344232
1-(difluoromethoxy)-4-[4-(4-ethylphenyl)-2-fluorophenyl]-2-fluorobenzene
CID 67798587
1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene
CID 67799012
2-[[4-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethynyl]-3-fluoro-5-methylphenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 134376199
1-fluoro-4-methoxy-2-[4-[(E)-prop-1-enyl]phenyl]benzene
CID 145014279
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 59814115
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 158177832
1-[4-[4-(difluoromethoxy)phenyl]phenyl]-2-fluoro-4-hex-4-enylbenzene
CID 54000160
1,3-difluoro-2-[[4-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]phenyl]methoxy]-5-methylbenzene
CID 130203768
2-(2,2-difluoroethenoxy)-1,3-difluoro-5-(2-fluoro-4-phenylphenyl)benzene
CID 134419743

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene?
The IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene (CID 59207583) is 2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene.
What is the SMILES notation for 2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene?
The canonical SMILES for 2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene is CC=Cc1ccc(-c2ccc(-c3cc(F)c(OC(F)F)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene?
The InChIKey is RQMFAZYODROTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5O/c1-2-3-13-4-6-14(7-5-13)15-8-9-17(18(23)10-15)16-11-19(24)21(20(25)12-16)28-22(26)27/h2-12,22H,1H3.
What are the key properties of 2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene?
2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene has a molecular weight of 390.35 g/mol, XLogP of 7.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,3-difluoro-5-[2-fluoro-4-(4-prop-1-enylphenyl)phenyl]benzene is sourced from PubChem (CID 59207583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).