2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine

C13H17F2NO3 — CID 117435420

IUPAC2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine
SMILESCOc1cc(C(F)F)c(C2CNCCO2)cc1OC
InChIInChI=1S/C13H17F2NO3/c1-17-10-5-8(12-7-16-3-4-19-12)9(13(14)15)6-11(10)18-2/h5-6,12-13,16H,3-4,7H2,1-2H3
InChIKeyRCSOUAYQKPQDOW-UHFFFAOYSA-N
MW273.28 g/mol
LogP2.30
Rot. Bonds4

About 2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine

2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine (PubChem CID 117435420) has the molecular formula C13H17F2NO3 and a molecular weight of 273.28 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine.

Molecular Properties

Compound Name2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine
PubChem CID117435420
Molecular FormulaC13H17F2NO3
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Name2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine
SMILESCOc1cc(C(F)F)c(C2CNCCO2)cc1OC
InChIInChI=1S/C13H17F2NO3/c1-17-10-5-8(12-7-16-3-4-19-12)9(13(14)15)6-11(10)18-2/h5-6,12-13,16H,3-4,7H2,1-2H3
InChIKeyRCSOUAYQKPQDOW-UHFFFAOYSA-N
XLogP2.30
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine
CID 117426455
2-[2-(difluoromethyl)-5-methoxyphenyl]morpholine
CID 117359395
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine
CID 117406688
2-(2,4-dimethoxy-5-methylphenyl)morpholine
CID 117346886
2-(5-fluoro-2,3-dimethoxyphenyl)morpholine
CID 117354893
2-[2-(1-fluoroethyl)-3-methoxyphenyl]morpholine
CID 117350776
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]piperidine
CID 117430883
2-(2-methoxy-4-methylphenyl)morpholine
CID 82611084
2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine
CID 117482760
2-(2-fluoro-3,6-dimethoxyphenyl)morpholine
CID 84800876
2-(5-chloro-3-methoxy-2-methylphenyl)morpholine
CID 117356511

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine?
The IUPAC name of 2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine (CID 117435420) is 2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine.
What is the SMILES notation for 2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine?
The canonical SMILES for 2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine is COc1cc(C(F)F)c(C2CNCCO2)cc1OC.
What is the InChIKey of 2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine?
The InChIKey is RCSOUAYQKPQDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO3/c1-17-10-5-8(12-7-16-3-4-19-12)9(13(14)15)6-11(10)18-2/h5-6,12-13,16H,3-4,7H2,1-2H3.
What are the key properties of 2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine?
2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine has a molecular weight of 273.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine is sourced from PubChem (CID 117435420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).