4-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane

C20H20F2O — CID 162406127

IUPAC4-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane
SMILESFC(F)=C(CC1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H20F2O/c21-20(22)19(14-15-10-12-23-13-11-15)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,15H,10-14H2
InChIKeyQKNWNIHVQXQATO-UHFFFAOYSA-N
MW314.38 g/mol
LogP5.78
Rot. Bonds4

About 4-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane

4-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane (PubChem CID 162406127) has the molecular formula C20H20F2O and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane.

Molecular Properties

Compound Name4-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane
PubChem CID162406127
Molecular FormulaC20H20F2O
Molecular Weight314.38 g/mol
Exact Mass314.15
IUPAC Name4-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane
SMILESFC(F)=C(CC1CCOCC1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H20F2O/c21-20(22)19(14-15-10-12-23-13-11-15)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,15H,10-14H2
InChIKeyQKNWNIHVQXQATO-UHFFFAOYSA-N
XLogP5.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.38
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl tetrahydropyran
CID 12284886
Tetrahydro-3,4-diphenylfuran
CID 296785
FP5OcHPa
CID 23391108
FP3OcHPa
CID 23391109
FP4OcHPa
CID 23391127
FP2OcHPa
CID 23391131
Pyran, 4-phenyltetrahydro-
CID 140726
3-[4-(Trifluoromethyl)phenyl]oxolane
CID 89525015
Bis-(3-phenylpropyl)-ether
CID 345938
3,4-Diphenyltetrahydrofuran, cis-
CID 44403754
4-(Naphthalen-2-ylmethyl)oxane
CID 127053132
3-Phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 17974543

Frequently Asked Questions

What is the IUPAC name of 4-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane?
The IUPAC name of 4-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane (CID 162406127) is 4-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane.
What is the SMILES notation for 4-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane?
The canonical SMILES for 4-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane is FC(F)=C(CC1CCOCC1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane?
The InChIKey is QKNWNIHVQXQATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2O/c21-20(22)19(14-15-10-12-23-13-11-15)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,15H,10-14H2.
What are the key properties of 4-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane?
4-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane has a molecular weight of 314.38 g/mol, XLogP of 5.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxane is sourced from PubChem (CID 162406127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).