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

C20H20F2O2 — CID 152938312

IUPAC1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(C3(C(C)(F)F)CC3)cc2)cc1
InChIInChI=1S/C20H20F2O2/c1-3-18(23)14-4-8-16(9-5-14)24-17-10-6-15(7-11-17)20(12-13-20)19(2,21)22/h4-11H,3,12-13H2,1-2H3
InChIKeyUMHRUTSUFXHPFX-UHFFFAOYSA-N
MW330.37 g/mol
LogP5.76
Rot. Bonds6

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

1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]phenyl]propan-1-one (PubChem CID 152938312) has the molecular formula C20H20F2O2 and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]phenyl]propan-1-one
PubChem CID152938312
Molecular FormulaC20H20F2O2
Molecular Weight330.37 g/mol
Exact Mass330.14
IUPAC Name1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(Oc2ccc(C3(C(C)(F)F)CC3)cc2)cc1
InChIInChI=1S/C20H20F2O2/c1-3-18(23)14-4-8-16(9-5-14)24-17-10-6-15(7-11-17)20(12-13-20)19(2,21)22/h4-11H,3,12-13H2,1-2H3
InChIKeyUMHRUTSUFXHPFX-UHFFFAOYSA-N
XLogP5.76
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.37
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]-3-fluorophenyl]propan-1-one
CID 161389908
1-[4-(3,4-difluorophenoxy)phenyl]propan-1-one
CID 114065895
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
1-[4-(4-phenylphenoxy)phenyl]propan-1-one
CID 18364107
4-(4-propanoylphenoxy)benzonitrile
CID 103604232
1-[4-(4-cyclopentylphenoxy)phenyl]propan-1-one
CID 157293916
1-[4-(4-cyclohexylphenoxy)phenyl]propan-1-one
CID 159588283
1-[4-(2,3-dimethylphenoxy)phenyl]propan-1-one
CID 114065883
(4-propanoylphenyl) propanoate
CID 19170728
2,2-difluoro-2-(4-propanoylphenoxy)acetohydrazide
CID 63575837
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-one
CID 112687937
1-[4-[3-[2-(4-hydroxy-4-propan-2-ylpiperidin-1-yl)-2-oxoethyl]-5-(trifluoromethyl)phenoxy]phenyl]propan-1-one
CID 159740671

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]phenyl]propan-1-one?
The IUPAC name of 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]phenyl]propan-1-one (CID 152938312) is 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]phenyl]propan-1-one is CCC(=O)c1ccc(Oc2ccc(C3(C(C)(F)F)CC3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]phenyl]propan-1-one?
The InChIKey is UMHRUTSUFXHPFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2O2/c1-3-18(23)14-4-8-16(9-5-14)24-17-10-6-15(7-11-17)20(12-13-20)19(2,21)22/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]phenyl]propan-1-one?
1-[4-[4-[1-(1,1-difluoroethyl)cyclopropyl]phenoxy]phenyl]propan-1-one has a molecular weight of 330.37 g/mol, XLogP of 5.76, 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]phenyl]propan-1-one is sourced from PubChem (CID 152938312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).