2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine

C12H14F3NO2 — CID 117406688

IUPAC2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine
SMILESCOc1c(F)cc(C(F)F)cc1C1CNCCO1
InChIInChI=1S/C12H14F3NO2/c1-17-11-8(10-6-16-2-3-18-10)4-7(12(14)15)5-9(11)13/h4-5,10,12,16H,2-3,6H2,1H3
InChIKeyZUAAVIRXDWTGQK-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.43
Rot. Bonds3

About 2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine

2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine (PubChem CID 117406688) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine
PubChem CID117406688
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine
SMILESCOc1c(F)cc(C(F)F)cc1C1CNCCO1
InChIInChI=1S/C12H14F3NO2/c1-17-11-8(10-6-16-2-3-18-10)4-7(12(14)15)5-9(11)13/h4-5,10,12,16H,2-3,6H2,1H3
InChIKeyZUAAVIRXDWTGQK-UHFFFAOYSA-N
XLogP2.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-fluoro-2,3-dimethoxy-4-methylsulfanylphenyl)morpholine
CID 117463646
2-(5-fluoro-2,3-dimethoxyphenyl)morpholine
CID 117354893
2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine
CID 117364414
2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine
CID 117435420
3-fluoro-2-methoxy-5-morpholin-2-ylphenol
CID 117326493
2-[2-(difluoromethyl)-5-methoxyphenyl]morpholine
CID 117359395
2-(4-chloro-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)morpholine
CID 117476546
2-(3-bromo-2-methoxy-5-methylphenyl)morpholine
CID 115004626
2-(3-chloro-2-methoxy-4,5-dimethylphenyl)morpholine
CID 115004570
2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine
CID 117470350
4-bromo-2-fluoro-3-methoxy-6-morpholin-2-ylphenol
CID 117491089
2-methoxy-5,6-dimethyl-3-morpholin-2-ylphenol
CID 117346862

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine?
The IUPAC name of 2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine (CID 117406688) is 2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine.
What is the SMILES notation for 2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine?
The canonical SMILES for 2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine is COc1c(F)cc(C(F)F)cc1C1CNCCO1.
What is the InChIKey of 2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine?
The InChIKey is ZUAAVIRXDWTGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-17-11-8(10-6-16-2-3-18-10)4-7(12(14)15)5-9(11)13/h4-5,10,12,16H,2-3,6H2,1H3.
What are the key properties of 2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine?
2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine has a molecular weight of 261.24 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine is sourced from PubChem (CID 117406688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).