2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine

C13H17F2NO — CID 117355123

IUPAC2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine
SMILESCc1ccc(C(C)(F)F)c(C2CNCCO2)c1
InChIInChI=1S/C13H17F2NO/c1-9-3-4-11(13(2,14)15)10(7-9)12-8-16-5-6-17-12/h3-4,7,12,16H,5-6,8H2,1-2H3
InChIKeyPYIGQKVPNIKGRT-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.77
Rot. Bonds2

About 2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine

2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine (PubChem CID 117355123) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine.

Molecular Properties

Compound Name2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine
PubChem CID117355123
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine
SMILESCc1ccc(C(C)(F)F)c(C2CNCCO2)c1
InChIInChI=1S/C13H17F2NO/c1-9-3-4-11(13(2,14)15)10(7-9)12-8-16-5-6-17-12/h3-4,7,12,16H,5-6,8H2,1-2H3
InChIKeyPYIGQKVPNIKGRT-UHFFFAOYSA-N
XLogP2.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1,1-difluoroethyl)phenyl]morpholine
CID 117326792
2-(2-fluoro-4-methylphenyl)morpholine
CID 83698750
2-(2-methoxy-4-methylphenyl)morpholine
CID 82611084
2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine
CID 117409073
2-[3-(1,1-difluoroethyl)phenyl]morpholine
CID 117326793
(2R)-2-(3-methylphenyl)morpholine
CID 42182782
2-[7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]morpholine
CID 117488290
2-(3-methylphenyl)morpholine;hydrochloride
CID 71398912
2-(4-tert-butyl-2,6-dimethylphenyl)morpholine
CID 82296070
3-methyl-4-morpholin-2-ylphenol
CID 67032452
2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine
CID 117470350
(2R)-2-(2,4-difluorophenyl)morpholine
CID 93302359

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine?
The IUPAC name of 2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine (CID 117355123) is 2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine.
What is the SMILES notation for 2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine?
The canonical SMILES for 2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine is Cc1ccc(C(C)(F)F)c(C2CNCCO2)c1.
What is the InChIKey of 2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine?
The InChIKey is PYIGQKVPNIKGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9-3-4-11(13(2,14)15)10(7-9)12-8-16-5-6-17-12/h3-4,7,12,16H,5-6,8H2,1-2H3.
What are the key properties of 2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine?
2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine has a molecular weight of 241.28 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine is sourced from PubChem (CID 117355123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).