1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene

C22H19F3O2 — CID 67799012

IUPAC1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene
SMILESCCCOc1ccc(-c2ccc(-c3ccc(OC(F)F)cc3)c(F)c2)cc1
InChIInChI=1S/C22H19F3O2/c1-2-13-26-18-8-3-15(4-9-18)17-7-12-20(21(23)14-17)16-5-10-19(11-6-16)27-22(24)25/h3-12,14,22H,2,13H2,1H3
InChIKeyJUNRBWXUAYWRJV-UHFFFAOYSA-N
MW372.39 g/mol
LogP6.55
Rot. Bonds7

About 1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene

1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene (PubChem CID 67799012) has the molecular formula C22H19F3O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene.

Molecular Properties

Compound Name1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene
PubChem CID67799012
Molecular FormulaC22H19F3O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene
SMILESCCCOc1ccc(-c2ccc(-c3ccc(OC(F)F)cc3)c(F)c2)cc1
InChIInChI=1S/C22H19F3O2/c1-2-13-26-18-8-3-15(4-9-18)17-7-12-20(21(23)14-17)16-5-10-19(11-6-16)27-22(24)25/h3-12,14,22H,2,13H2,1H3
InChIKeyJUNRBWXUAYWRJV-UHFFFAOYSA-N
XLogP6.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.39
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(difluoromethoxy)-2-fluoro-1-[4-(4-hexoxyphenyl)phenyl]benzene
CID 54231348
1-(difluoromethoxy)-2-fluoro-4-[3-fluoro-4-(4-octoxyphenyl)phenyl]benzene
CID 67798957
1-(difluoromethoxy)-2-fluoro-4-[3-fluoro-4-(4-heptoxyphenyl)phenyl]benzene
CID 67799885
3-fluoro-4-(4-propoxyphenyl)phenol
CID 83130933
1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene
CID 19436305
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 19107911
2-[4-(4-chloro-3-fluorophenyl)-3-fluorophenyl]-6-propoxynaphthalene
CID 129226020
2-fluoro-4-[3-fluoro-4-[(2R)-heptan-2-yl]oxyphenyl]-1-(4-octoxyphenyl)benzene
CID 14766271
2,3-difluoro-1-[4-(4-heptoxyphenyl)phenyl]-4-(4-propoxyphenyl)benzene
CID 19107947
2,3-difluoro-5-[4-(4-propoxyphenyl)phenyl]pyridine
CID 23190649
1-(4-butoxyphenyl)-2-fluoro-4-pentylbenzene
CID 67842431
N-[2-[4-[3-fluoro-4-(4-propylphenyl)phenyl]phenoxy]ethyl]-2-methoxyethanamine
CID 66828995

Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene?
The IUPAC name of 1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene (CID 67799012) is 1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene.
What is the SMILES notation for 1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene?
The canonical SMILES for 1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene is CCCOc1ccc(-c2ccc(-c3ccc(OC(F)F)cc3)c(F)c2)cc1.
What is the InChIKey of 1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene?
The InChIKey is JUNRBWXUAYWRJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3O2/c1-2-13-26-18-8-3-15(4-9-18)17-7-12-20(21(23)14-17)16-5-10-19(11-6-16)27-22(24)25/h3-12,14,22H,2,13H2,1H3.
What are the key properties of 1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene?
1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene has a molecular weight of 372.39 g/mol, XLogP of 6.55, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethoxy)phenyl]-2-fluoro-4-(4-propoxyphenyl)benzene is sourced from PubChem (CID 67799012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).