4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine

C17H16F3NO2 — CID 70300995

IUPAC4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine
SMILESFc1ccc(-c2ccc(OC(F)F)cc2)cc1N1CCOCC1
InChIInChI=1S/C17H16F3NO2/c18-15-6-3-13(11-16(15)21-7-9-22-10-8-21)12-1-4-14(5-2-12)23-17(19)20/h1-6,11,17H,7-10H2
InChIKeyBVGKQFPVHJFQRY-UHFFFAOYSA-N
MW323.31 g/mol
LogP3.93
Rot. Bonds4

About 4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine

4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine (PubChem CID 70300995) has the molecular formula C17H16F3NO2 and a molecular weight of 323.31 g/mol. Its IUPAC name is 4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine.

Molecular Properties

Compound Name4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine
PubChem CID70300995
Molecular FormulaC17H16F3NO2
Molecular Weight323.31 g/mol
Exact Mass323.11
IUPAC Name4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine
SMILESFc1ccc(-c2ccc(OC(F)F)cc2)cc1N1CCOCC1
InChIInChI=1S/C17H16F3NO2/c18-15-6-3-13(11-16(15)21-7-9-22-10-8-21)12-1-4-14(5-2-12)23-17(19)20/h1-6,11,17H,7-10H2
InChIKeyBVGKQFPVHJFQRY-UHFFFAOYSA-N
XLogP3.93
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine?
The IUPAC name of 4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine (CID 70300995) is 4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine.
What is the SMILES notation for 4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine?
The canonical SMILES for 4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine is Fc1ccc(-c2ccc(OC(F)F)cc2)cc1N1CCOCC1.
What is the InChIKey of 4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine?
The InChIKey is BVGKQFPVHJFQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO2/c18-15-6-3-13(11-16(15)21-7-9-22-10-8-21)12-1-4-14(5-2-12)23-17(19)20/h1-6,11,17H,7-10H2.
What are the key properties of 4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine?
4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine has a molecular weight of 323.31 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(difluoromethoxy)phenyl]-2-fluorophenyl]morpholine is sourced from PubChem (CID 70300995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).