2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine

C14H20FNO3 — CID 117426455

IUPAC2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine
SMILESCOc1cc(C(C)F)c(C2CNCCO2)cc1OC
InChIInChI=1S/C14H20FNO3/c1-9(15)10-6-12(17-2)13(18-3)7-11(10)14-8-16-4-5-19-14/h6-7,9,14,16H,4-5,8H2,1-3H3
InChIKeyODUFDONURHZKMC-UHFFFAOYSA-N
MW269.32 g/mol
LogP2.40
Rot. Bonds4

About 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine

2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine (PubChem CID 117426455) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine.

Molecular Properties

Compound Name2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine
PubChem CID117426455
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine
SMILESCOc1cc(C(C)F)c(C2CNCCO2)cc1OC
InChIInChI=1S/C14H20FNO3/c1-9(15)10-6-12(17-2)13(18-3)7-11(10)14-8-16-4-5-19-14/h6-7,9,14,16H,4-5,8H2,1-3H3
InChIKeyODUFDONURHZKMC-UHFFFAOYSA-N
XLogP2.40
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(difluoromethyl)-4,5-dimethoxyphenyl]morpholine
CID 117435420
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
2-[2-(1-fluoroethyl)-3-methoxyphenyl]morpholine
CID 117350776
2-[2-(difluoromethyl)-5-methoxyphenyl]morpholine
CID 117359395
2-(3-chloro-4,5-dimethoxy-2-propan-2-ylphenyl)morpholine
CID 117482760
2-(2,4-dimethoxy-5-methylphenyl)morpholine
CID 117346886
2-(5-fluoro-2,3-dimethoxyphenyl)morpholine
CID 117354893
2-(2-methoxy-4-methylphenyl)morpholine
CID 82611084
2-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]morpholine
CID 117406688
2-(2-fluoro-3,6-dimethoxyphenyl)morpholine
CID 84800876
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184
2-(5-chloro-3-methoxy-2-methylphenyl)morpholine
CID 117356511

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine?
The IUPAC name of 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine (CID 117426455) is 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine.
What is the SMILES notation for 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine?
The canonical SMILES for 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine is COc1cc(C(C)F)c(C2CNCCO2)cc1OC.
What is the InChIKey of 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine?
The InChIKey is ODUFDONURHZKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-9(15)10-6-12(17-2)13(18-3)7-11(10)14-8-16-4-5-19-14/h6-7,9,14,16H,4-5,8H2,1-3H3.
What are the key properties of 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine?
2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine has a molecular weight of 269.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-fluoroethyl)-4,5-dimethoxyphenyl]morpholine is sourced from PubChem (CID 117426455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).