3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine

C15H19F4NO — CID 170587152

IUPAC3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine
SMILESCC(C)c1c(F)cc(N2CCOCC2CC(F)F)cc1F
InChIInChI=1S/C15H19F4NO/c1-9(2)15-12(16)5-10(6-13(15)17)20-3-4-21-8-11(20)7-14(18)19/h5-6,9,11,14H,3-4,7-8H2,1-2H3
InChIKeyDMHSDTFGATXQOK-UHFFFAOYSA-N
MW305.32 g/mol
LogP3.95
Rot. Bonds4

About 3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine

3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine (PubChem CID 170587152) has the molecular formula C15H19F4NO and a molecular weight of 305.32 g/mol. Its IUPAC name is 3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine.

Molecular Properties

Compound Name3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine
PubChem CID170587152
Molecular FormulaC15H19F4NO
Molecular Weight305.32 g/mol
Exact Mass305.14
IUPAC Name3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine
SMILESCC(C)c1c(F)cc(N2CCOCC2CC(F)F)cc1F
InChIInChI=1S/C15H19F4NO/c1-9(2)15-12(16)5-10(6-13(15)17)20-3-4-21-8-11(20)7-14(18)19/h5-6,9,11,14H,3-4,7-8H2,1-2H3
InChIKeyDMHSDTFGATXQOK-UHFFFAOYSA-N
XLogP3.95
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(p-Tolyl)morpholine
CID 766255
[3-Fluoro-4-(morpholin-4-yl)phenyl]methanamine
CID 11572017
N,N-dimethyl-4-(2-morpholin-4-ylethyl)aniline
CID 3830898
4-[4-(1-Propylpiperidin-4-yl)phenyl]morpholine
CID 57387304
(3,5-Difluoro-4-(morpholin-4-yl)phenyl)methanamine
CID 22337573
(3S,5R)-3-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enyl]morpholine
CID 44203789
Morpholine, 4-[1,1'-biphenyl]-4-yl-
CID 10911629
4-(4-Trifluoromethylphenyl)morpholine
CID 10933310
1-(4-(Morpholin-4-yl)phenyl)ethan-1-amine
CID 4912810
(4-(2,6-Dimethylmorpholin-4-yl)-3-fluorophenyl)methanamine
CID 43122235
4-(2,3,5,6-Tetrafluoro-4-biphenylyl)morpholine
CID 872458
N,N-dimethyl-4-(morpholin-4-ylmethyl)-2,6-di(propan-2-yl)aniline
CID 44383834

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine?
The IUPAC name of 3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine (CID 170587152) is 3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine.
What is the SMILES notation for 3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine?
The canonical SMILES for 3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine is CC(C)c1c(F)cc(N2CCOCC2CC(F)F)cc1F.
What is the InChIKey of 3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine?
The InChIKey is DMHSDTFGATXQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4NO/c1-9(2)15-12(16)5-10(6-13(15)17)20-3-4-21-8-11(20)7-14(18)19/h5-6,9,11,14H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine?
3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine has a molecular weight of 305.32 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethyl)-4-(3,5-difluoro-4-propan-2-ylphenyl)morpholine is sourced from PubChem (CID 170587152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).