2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine

C12H14ClF2NO — CID 117409073

IUPAC2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine
SMILESCC(F)(F)c1ccc(C2CNCCO2)c(Cl)c1
InChIInChI=1S/C12H14ClF2NO/c1-12(14,15)8-2-3-9(10(13)6-8)11-7-16-4-5-17-11/h2-3,6,11,16H,4-5,7H2,1H3
InChIKeyGZTKEYHVWNSWSY-UHFFFAOYSA-N
MW261.70 g/mol
LogP3.11
Rot. Bonds2

About 2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine

2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine (PubChem CID 117409073) has the molecular formula C12H14ClF2NO and a molecular weight of 261.70 g/mol. Its IUPAC name is 2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine.

Molecular Properties

Compound Name2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine
PubChem CID117409073
Molecular FormulaC12H14ClF2NO
Molecular Weight261.70 g/mol
Exact Mass261.07
IUPAC Name2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine
SMILESCC(F)(F)c1ccc(C2CNCCO2)c(Cl)c1
InChIInChI=1S/C12H14ClF2NO/c1-12(14,15)8-2-3-9(10(13)6-8)11-7-16-4-5-17-11/h2-3,6,11,16H,4-5,7H2,1H3
InChIKeyGZTKEYHVWNSWSY-UHFFFAOYSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.70
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(1,1-difluoroethyl)phenyl]morpholine
CID 117326793
2-[2-(1,1-difluoroethyl)phenyl]morpholine
CID 117326792
2-(2-chloro-4,5-dimethoxyphenyl)morpholine
CID 117397861
2-[2-(1,1-difluoroethyl)-5-methylphenyl]morpholine
CID 117355123
2-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)morpholine
CID 117392151
2-[4-(trifluoromethyl)phenyl]morpholine
CID 3756313
2-(2-fluoro-4-methylphenyl)morpholine
CID 83698750
2-(5-bromo-2-chlorophenyl)morpholine
CID 83745002
(2R)-2-(2,4-difluorophenyl)morpholine
CID 93302359
2-(4-bromo-2-chloro-3-fluorophenyl)morpholine
CID 117475166
2-chloro-3-fluoro-4-morpholin-2-ylphenol
CID 117335357
2-(5-chloro-4-methoxy-2-methylphenyl)morpholine
CID 82293184

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine?
The IUPAC name of 2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine (CID 117409073) is 2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine.
What is the SMILES notation for 2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine?
The canonical SMILES for 2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine is CC(F)(F)c1ccc(C2CNCCO2)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine?
The InChIKey is GZTKEYHVWNSWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF2NO/c1-12(14,15)8-2-3-9(10(13)6-8)11-7-16-4-5-17-11/h2-3,6,11,16H,4-5,7H2,1H3.
What are the key properties of 2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine?
2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine has a molecular weight of 261.70 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(1,1-difluoroethyl)phenyl]morpholine is sourced from PubChem (CID 117409073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).