1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one

C20H19F3O2 — CID 161389908

IUPAC1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(C3(C(C)(F)F)CC3)cc2)c(F)c1
InChIInChI=1S/C20H19F3O2/c1-3-17(24)13-4-9-18(16(21)12-13)25-15-7-5-14(6-8-15)20(10-11-20)19(2,22)23/h4-9,12H,3,10-11H2,1-2H3
InChIKeyVSVUUBSXRFZOSG-UHFFFAOYSA-N
MW348.36 g/mol
LogP5.90
Rot. Bonds6

About 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one

1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one (PubChem CID 161389908) has the molecular formula C20H19F3O2 and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one
PubChem CID161389908
Molecular FormulaC20H19F3O2
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(C3(C(C)(F)F)CC3)cc2)c(F)c1
InChIInChI=1S/C20H19F3O2/c1-3-17(24)13-4-9-18(16(21)12-13)25-15-7-5-14(6-8-15)20(10-11-20)19(2,22)23/h4-9,12H,3,10-11H2,1-2H3
InChIKeyVSVUUBSXRFZOSG-UHFFFAOYSA-N
XLogP5.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.36
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]phenyl]propan-1-one
CID 152938312
1-[3-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]phenyl]propan-1-one
CID 162250472
3-fluoro-N,N-dimethyl-4-[4-[1-(trifluoromethyl)cyclopropyl]phenoxy]benzamide
CID 142415050
methyl 4-[2-fluoro-4-[1-(1,1,2,2,2-pentafluoroethyl)cyclopropyl]phenoxy]benzoate
CID 142414802
ethyl 4-[4-(1,1-difluoroethyl)phenoxy]-3-fluorobenzoate
CID 142415329
4-[1-(1,1-difluoroethyl)cyclopropyl]benzoic acid
CID 84725778
4-[4-(1,1-difluoroethyl)phenoxy]-3-fluoro-N,N-dimethylbenzamide
CID 162134350
3-fluoro-N-hydroxy-4-[4-(9-methyl-9-bicyclo[3.3.1]nonanyl)phenoxy]benzamide
CID 146325722
1-[3-fluoro-4-[4-(trifluoromethyl)phenoxy]phenyl]ethanone
CID 142414912
1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone
CID 158011620
3-fluoro-4-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]benzamide
CID 158189564
4-[4-(1-adamantyl)phenoxy]-3-fluoro-N-methylbenzamide
CID 146325605

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one?
The IUPAC name of 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one (CID 161389908) is 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one.
What is the SMILES notation for 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one?
The canonical SMILES for 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one is CCC(=O)c1ccc(Oc2ccc(C3(C(C)(F)F)CC3)cc2)c(F)c1.
What is the InChIKey of 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one?
The InChIKey is VSVUUBSXRFZOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3O2/c1-3-17(24)13-4-9-18(16(21)12-13)25-15-7-5-14(6-8-15)20(10-11-20)19(2,22)23/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one?
1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one has a molecular weight of 348.36 g/mol, XLogP of 5.90, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one is sourced from PubChem (CID 161389908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).