4-[3-(difluoromethyl)-4-propan-2-ylphenyl]morpholine

C14H19F2NO — CID 70644518

IUPAC4-[3-(difluoromethyl)-4-propan-2-ylphenyl]morpholine
SMILESCC(C)c1ccc(N2CCOCC2)cc1C(F)F
InChIInChI=1S/C14H19F2NO/c1-10(2)12-4-3-11(9-13(12)14(15)16)17-5-7-18-8-6-17/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyPTEDDUVXEQLGSP-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.58
Rot. Bonds3

About 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]morpholine

4-[3-(difluoromethyl)-4-propan-2-ylphenyl]morpholine (PubChem CID 70644518) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]morpholine.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-4-propan-2-ylphenyl]morpholine
PubChem CID70644518
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name4-[3-(difluoromethyl)-4-propan-2-ylphenyl]morpholine
SMILESCC(C)c1ccc(N2CCOCC2)cc1C(F)F
InChIInChI=1S/C14H19F2NO/c1-10(2)12-4-3-11(9-13(12)14(15)16)17-5-7-18-8-6-17/h3-4,9-10,14H,5-8H2,1-2H3
InChIKeyPTEDDUVXEQLGSP-UHFFFAOYSA-N
XLogP3.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]morpholine?
The IUPAC name of 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]morpholine (CID 70644518) is 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]morpholine.
What is the SMILES notation for 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]morpholine?
The canonical SMILES for 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]morpholine is CC(C)c1ccc(N2CCOCC2)cc1C(F)F.
What is the InChIKey of 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]morpholine?
The InChIKey is PTEDDUVXEQLGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-10(2)12-4-3-11(9-13(12)14(15)16)17-5-7-18-8-6-17/h3-4,9-10,14H,5-8H2,1-2H3.
What are the key properties of 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]morpholine?
4-[3-(difluoromethyl)-4-propan-2-ylphenyl]morpholine has a molecular weight of 255.31 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]morpholine is sourced from PubChem (CID 70644518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).