3-benzyl-5-(difluoromethyl)morpholine

C12H15F2NO — CID 137409064

IUPAC3-benzyl-5-(difluoromethyl)morpholine
SMILESFC(F)C1COCC(Cc2ccccc2)N1
InChIInChI=1S/C12H15F2NO/c13-12(14)11-8-16-7-10(15-11)6-9-4-2-1-3-5-9/h1-5,10-12,15H,6-8H2
InChIKeyFVRJNMBLVYQISZ-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.85
Rot. Bonds3

About 3-benzyl-5-(difluoromethyl)morpholine

3-benzyl-5-(difluoromethyl)morpholine (PubChem CID 137409064) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 3-benzyl-5-(difluoromethyl)morpholine.

Molecular Properties

Compound Name3-benzyl-5-(difluoromethyl)morpholine
PubChem CID137409064
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name3-benzyl-5-(difluoromethyl)morpholine
SMILESFC(F)C1COCC(Cc2ccccc2)N1
InChIInChI=1S/C12H15F2NO/c13-12(14)11-8-16-7-10(15-11)6-9-4-2-1-3-5-9/h1-5,10-12,15H,6-8H2
InChIKeyFVRJNMBLVYQISZ-UHFFFAOYSA-N
XLogP1.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,5S)-5-benzylmorpholin-3-yl]phosphonic acid
CID 102365390
4-benzyl-1,3-oxazolidine
CID 22719793
4-benzyl-2-methyl-1,3-oxazolidine
CID 82280019
(4R)-4-benzyl-1,3-oxazolidine-2-carbaldehyde
CID 174480372
(4S)-4-benzyl-3,4,5,6-tetrahydro-1H-2,5-benzoxazocine
CID 97102714
7-benzyl-9-oxa-6-azaspiro[4.5]decane
CID 56766379
5-benzyl-3-ethyl-2-phenylmorpholine
CID 63261636
7-benzyl-2,5-dioxa-8-azaspiro[3.4]octane
CID 155888873
4-benzyloxolan-3-ol
CID 14785279
lithium (4S)-4-benzyl-1,3-oxazolidin-2-one
CID 21353540
(2R,5R)-2-benzyl-5-ethylpyrrolidine
CID 11267979
(4R)-4-benzyl-1,3,4,5-tetrahydro-2,5-benzoxazocin-6-one
CID 97102711

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(difluoromethyl)morpholine?
The IUPAC name of 3-benzyl-5-(difluoromethyl)morpholine (CID 137409064) is 3-benzyl-5-(difluoromethyl)morpholine.
What is the SMILES notation for 3-benzyl-5-(difluoromethyl)morpholine?
The canonical SMILES for 3-benzyl-5-(difluoromethyl)morpholine is FC(F)C1COCC(Cc2ccccc2)N1.
What is the InChIKey of 3-benzyl-5-(difluoromethyl)morpholine?
The InChIKey is FVRJNMBLVYQISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-12(14)11-8-16-7-10(15-11)6-9-4-2-1-3-5-9/h1-5,10-12,15H,6-8H2.
What are the key properties of 3-benzyl-5-(difluoromethyl)morpholine?
3-benzyl-5-(difluoromethyl)morpholine has a molecular weight of 227.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(difluoromethyl)morpholine is sourced from PubChem (CID 137409064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).