3-[4-(difluoromethyl)oxan-4-yl]-2-fluoropyridine

C11H12F3NO — CID 59326778

IUPAC3-[4-(difluoromethyl)oxan-4-yl]-2-fluoropyridine
SMILESFc1ncccc1C1(C(F)F)CCOCC1
InChIInChI=1S/C11H12F3NO/c12-9-8(2-1-5-15-9)11(10(13)14)3-6-16-7-4-11/h1-2,5,10H,3-4,6-7H2
InChIKeyPRUIQFAMINMQDH-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.53
Rot. Bonds2

About 3-[4-(difluoromethyl)oxan-4-yl]-2-fluoropyridine

3-[4-(difluoromethyl)oxan-4-yl]-2-fluoropyridine (PubChem CID 59326778) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-[4-(difluoromethyl)oxan-4-yl]-2-fluoropyridine.

Molecular Properties

Compound Name3-[4-(difluoromethyl)oxan-4-yl]-2-fluoropyridine
PubChem CID59326778
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name3-[4-(difluoromethyl)oxan-4-yl]-2-fluoropyridine
SMILESFc1ncccc1C1(C(F)F)CCOCC1
InChIInChI=1S/C11H12F3NO/c12-9-8(2-1-5-15-9)11(10(13)14)3-6-16-7-4-11/h1-2,5,10H,3-4,6-7H2
InChIKeyPRUIQFAMINMQDH-UHFFFAOYSA-N
XLogP2.53
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethyl)oxan-4-yl]-2-fluoropyridine?
The IUPAC name of 3-[4-(difluoromethyl)oxan-4-yl]-2-fluoropyridine (CID 59326778) is 3-[4-(difluoromethyl)oxan-4-yl]-2-fluoropyridine.
What is the SMILES notation for 3-[4-(difluoromethyl)oxan-4-yl]-2-fluoropyridine?
The canonical SMILES for 3-[4-(difluoromethyl)oxan-4-yl]-2-fluoropyridine is Fc1ncccc1C1(C(F)F)CCOCC1.
What is the InChIKey of 3-[4-(difluoromethyl)oxan-4-yl]-2-fluoropyridine?
The InChIKey is PRUIQFAMINMQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-9-8(2-1-5-15-9)11(10(13)14)3-6-16-7-4-11/h1-2,5,10H,3-4,6-7H2.
What are the key properties of 3-[4-(difluoromethyl)oxan-4-yl]-2-fluoropyridine?
3-[4-(difluoromethyl)oxan-4-yl]-2-fluoropyridine has a molecular weight of 231.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethyl)oxan-4-yl]-2-fluoropyridine is sourced from PubChem (CID 59326778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).