(4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde

C11H10F2O2 — CID 175077173

IUPAC(4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde
SMILESO=CC1C[C@H](c2ccc(F)c(F)c2)CO1
InChIInChI=1S/C11H10F2O2/c12-10-2-1-7(4-11(10)13)8-3-9(5-14)15-6-8/h1-2,4-5,8-9H,3,6H2/t8-,9?/m0/s1
InChIKeyGHOYUYOWHJXTJH-IENPIDJESA-N
MW212.19 g/mol
LogP2.04
Rot. Bonds2

About (4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde

(4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde (PubChem CID 175077173) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is (4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde.

Molecular Properties

Compound Name(4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde
PubChem CID175077173
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name(4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde
SMILESO=CC1C[C@H](c2ccc(F)c(F)c2)CO1
InChIInChI=1S/C11H10F2O2/c12-10-2-1-7(4-11(10)13)8-3-9(5-14)15-6-8/h1-2,4-5,8-9H,3,6H2/t8-,9?/m0/s1
InChIKeyGHOYUYOWHJXTJH-IENPIDJESA-N
XLogP2.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde?
The IUPAC name of (4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde (CID 175077173) is (4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde.
What is the SMILES notation for (4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde?
The canonical SMILES for (4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde is O=CC1C[C@H](c2ccc(F)c(F)c2)CO1.
What is the InChIKey of (4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde?
The InChIKey is GHOYUYOWHJXTJH-IENPIDJESA-N. The full InChI is InChI=1S/C11H10F2O2/c12-10-2-1-7(4-11(10)13)8-3-9(5-14)15-6-8/h1-2,4-5,8-9H,3,6H2/t8-,9?/m0/s1.
What are the key properties of (4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde?
(4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde has a molecular weight of 212.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3,4-difluorophenyl)oxolane-2-carbaldehyde is sourced from PubChem (CID 175077173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).