2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine

C12H14F3NO — CID 117364414

IUPAC2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine
SMILESCC(F)c1cc(F)c(F)c(C2CNCCO2)c1
InChIInChI=1S/C12H14F3NO/c1-7(13)8-4-9(12(15)10(14)5-8)11-6-16-2-3-17-11/h4-5,7,11,16H,2-3,6H2,1H3
InChIKeyOEWINZWAGCSLJZ-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.66
Rot. Bonds2

About 2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine

2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine (PubChem CID 117364414) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine.

Molecular Properties

Compound Name2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine
PubChem CID117364414
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine
SMILESCC(F)c1cc(F)c(F)c(C2CNCCO2)c1
InChIInChI=1S/C12H14F3NO/c1-7(13)8-4-9(12(15)10(14)5-8)11-6-16-2-3-17-11/h4-5,7,11,16H,2-3,6H2,1H3
InChIKeyOEWINZWAGCSLJZ-UHFFFAOYSA-N
XLogP2.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine
CID 117406688
2-(2,3-difluoro-5-methylsulfonylphenyl)morpholine
CID 117444045
2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine
CID 117426455
2-(2-fluoro-4-methylphenyl)morpholine
CID 83698750
(2R)-2-(2,4-difluorophenyl)morpholine
CID 93302359
2-(2-fluoro-5-methoxy-3-methylphenyl)morpholine
CID 84790102
2,5-difluoro-4-morpholin-2-ylphenol
CID 117306323
2-fluoro-4-methyl-5-morpholin-2-ylphenol
CID 84781573
2-(2-fluoro-5-methylsulfanylphenyl)morpholine
CID 115111871
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671
2,3-difluoro-6-morpholin-2-ylphenol
CID 84783760
2-morpholin-2-yl-5-propan-2-ylphenol
CID 117316057

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine?
The IUPAC name of 2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine (CID 117364414) is 2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine.
What is the SMILES notation for 2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine?
The canonical SMILES for 2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine is CC(F)c1cc(F)c(F)c(C2CNCCO2)c1.
What is the InChIKey of 2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine?
The InChIKey is OEWINZWAGCSLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-7(13)8-4-9(12(15)10(14)5-8)11-6-16-2-3-17-11/h4-5,7,11,16H,2-3,6H2,1H3.
What are the key properties of 2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine?
2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine has a molecular weight of 245.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-difluoro-5-(1-fluoroethyl)phenyl]morpholine is sourced from PubChem (CID 117364414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).