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

C19H18F2O — CID 162402006

IUPAC(2R)-2-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxolane
SMILESFC(F)=C(C[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18F2O/c20-19(21)18(13-17-7-4-12-22-17)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2/t17-/m1/s1
InChIKeyHREBWVVTOIYWSJ-QGZVFWFLSA-N
MW300.35 g/mol
LogP5.53
Rot. Bonds4

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

(2R)-2-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxolane (PubChem CID 162402006) has the molecular formula C19H18F2O and a molecular weight of 300.35 g/mol. Its IUPAC name is (2R)-2-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxolane.

Molecular Properties

Compound Name(2R)-2-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxolane
PubChem CID162402006
Molecular FormulaC19H18F2O
Molecular Weight300.35 g/mol
Exact Mass300.13
IUPAC Name(2R)-2-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxolane
SMILESFC(F)=C(C[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C19H18F2O/c20-19(21)18(13-17-7-4-12-22-17)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2/t17-/m1/s1
InChIKeyHREBWVVTOIYWSJ-QGZVFWFLSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.35
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxolane?
The IUPAC name of (2R)-2-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxolane (CID 162402006) is (2R)-2-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxolane.
What is the SMILES notation for (2R)-2-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxolane?
The canonical SMILES for (2R)-2-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxolane is FC(F)=C(C[C@H]1CCCO1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxolane?
The InChIKey is HREBWVVTOIYWSJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18F2O/c20-19(21)18(13-17-7-4-12-22-17)16-10-8-15(9-11-16)14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2/t17-/m1/s1.
What are the key properties of (2R)-2-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxolane?
(2R)-2-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxolane has a molecular weight of 300.35 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3,3-difluoro-2-(4-phenylphenyl)prop-2-enyl]oxolane is sourced from PubChem (CID 162402006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).