4-(3,3-difluoro-2-phenylpropyl)oxane

C14H18F2O — CID 166439661

IUPAC4-(3,3-difluoro-2-phenylpropyl)oxane
SMILESFC(F)C(CC1CCOCC1)c1ccccc1
InChIInChI=1S/C14H18F2O/c15-14(16)13(12-4-2-1-3-5-12)10-11-6-8-17-9-7-11/h1-5,11,13-14H,6-10H2
InChIKeyHLTYALCWUFXONS-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.85
Rot. Bonds4

About 4-(3,3-difluoro-2-phenylpropyl)oxane

4-(3,3-difluoro-2-phenylpropyl)oxane (PubChem CID 166439661) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is 4-(3,3-difluoro-2-phenylpropyl)oxane.

Molecular Properties

Compound Name4-(3,3-difluoro-2-phenylpropyl)oxane
PubChem CID166439661
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name4-(3,3-difluoro-2-phenylpropyl)oxane
SMILESFC(F)C(CC1CCOCC1)c1ccccc1
InChIInChI=1S/C14H18F2O/c15-14(16)13(12-4-2-1-3-5-12)10-11-6-8-17-9-7-11/h1-5,11,13-14H,6-10H2
InChIKeyHLTYALCWUFXONS-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoro-2-phenylpropyl)oxane?
The IUPAC name of 4-(3,3-difluoro-2-phenylpropyl)oxane (CID 166439661) is 4-(3,3-difluoro-2-phenylpropyl)oxane.
What is the SMILES notation for 4-(3,3-difluoro-2-phenylpropyl)oxane?
The canonical SMILES for 4-(3,3-difluoro-2-phenylpropyl)oxane is FC(F)C(CC1CCOCC1)c1ccccc1.
What is the InChIKey of 4-(3,3-difluoro-2-phenylpropyl)oxane?
The InChIKey is HLTYALCWUFXONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c15-14(16)13(12-4-2-1-3-5-12)10-11-6-8-17-9-7-11/h1-5,11,13-14H,6-10H2.
What are the key properties of 4-(3,3-difluoro-2-phenylpropyl)oxane?
4-(3,3-difluoro-2-phenylpropyl)oxane has a molecular weight of 240.29 g/mol, XLogP of 3.85, 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-phenylpropyl)oxane is sourced from PubChem (CID 166439661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).