2-[2-(1,1-difluoroethyl)phenyl]morpholine

C12H15F2NO — CID 117326792

IUPAC2-[2-(1,1-difluoroethyl)phenyl]morpholine
SMILESCC(F)(F)c1ccccc1C1CNCCO1
InChIInChI=1S/C12H15F2NO/c1-12(13,14)10-5-3-2-4-9(10)11-8-15-6-7-16-11/h2-5,11,15H,6-8H2,1H3
InChIKeyLDMSRUNDTXFZJB-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.46
Rot. Bonds2

About 2-[2-(1,1-difluoroethyl)phenyl]morpholine

2-[2-(1,1-difluoroethyl)phenyl]morpholine (PubChem CID 117326792) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 2-[2-(1,1-difluoroethyl)phenyl]morpholine.

Molecular Properties

Compound Name2-[2-(1,1-difluoroethyl)phenyl]morpholine
PubChem CID117326792
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name2-[2-(1,1-difluoroethyl)phenyl]morpholine
SMILESCC(F)(F)c1ccccc1C1CNCCO1
InChIInChI=1S/C12H15F2NO/c1-12(13,14)10-5-3-2-4-9(10)11-8-15-6-7-16-11/h2-5,11,15H,6-8H2,1H3
InChIKeyLDMSRUNDTXFZJB-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine
CID 117355123
2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine
CID 117409073
2-[3-(1,1-difluoroethyl)phenyl]morpholine
CID 117326793
2-morpholin-2-ylbenzonitrile;hydrochloride
CID 77492763
2-fluoro-N,N-dimethyl-6-morpholin-2-ylaniline
CID 115111854
2-(2-methylphenyl)-1,4-oxazepane
CID 43498424
azane;2-phenylmorpholine
CID 174664757
2-[2,3-bis(methylsulfanyl)phenyl]morpholine
CID 117391940
2-[4-(trifluoromethyl)phenyl]morpholine
CID 3756313
2-(2-fluoro-4-methylphenyl)morpholine
CID 83698750
2-[2-(1-fluoroethyl)-3-methoxyphenyl]morpholine
CID 117350776
2-[2,5-dimethoxy-3-(trifluoromethyl)phenyl]morpholine
CID 117470350

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-difluoroethyl)phenyl]morpholine?
The IUPAC name of 2-[2-(1,1-difluoroethyl)phenyl]morpholine (CID 117326792) is 2-[2-(1,1-difluoroethyl)phenyl]morpholine.
What is the SMILES notation for 2-[2-(1,1-difluoroethyl)phenyl]morpholine?
The canonical SMILES for 2-[2-(1,1-difluoroethyl)phenyl]morpholine is CC(F)(F)c1ccccc1C1CNCCO1.
What is the InChIKey of 2-[2-(1,1-difluoroethyl)phenyl]morpholine?
The InChIKey is LDMSRUNDTXFZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-12(13,14)10-5-3-2-4-9(10)11-8-15-6-7-16-11/h2-5,11,15H,6-8H2,1H3.
What are the key properties of 2-[2-(1,1-difluoroethyl)phenyl]morpholine?
2-[2-(1,1-difluoroethyl)phenyl]morpholine has a molecular weight of 227.25 g/mol, XLogP of 2.46, 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)phenyl]morpholine is sourced from PubChem (CID 117326792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).