4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine

C13H16ClF2NO — CID 63075679

IUPAC4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine
SMILESCCC1COCCN1c1c(F)cc(CCl)cc1F
InChIInChI=1S/C13H16ClF2NO/c1-2-10-8-18-4-3-17(10)13-11(15)5-9(7-14)6-12(13)16/h5-6,10H,2-4,7-8H2,1H3
InChIKeyATROFDCCQFOKSC-UHFFFAOYSA-N
MW275.73 g/mol
LogP3.32
Rot. Bonds3

About 4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine

4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine (PubChem CID 63075679) has the molecular formula C13H16ClF2NO and a molecular weight of 275.73 g/mol. Its IUPAC name is 4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine.

Molecular Properties

Compound Name4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine
PubChem CID63075679
Molecular FormulaC13H16ClF2NO
Molecular Weight275.73 g/mol
Exact Mass275.09
IUPAC Name4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine
SMILESCCC1COCCN1c1c(F)cc(CCl)cc1F
InChIInChI=1S/C13H16ClF2NO/c1-2-10-8-18-4-3-17(10)13-11(15)5-9(7-14)6-12(13)16/h5-6,10H,2-4,7-8H2,1H3
InChIKeyATROFDCCQFOKSC-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-chloro-4-(chloromethyl)phenyl]-3-ethylmorpholine
CID 81152265
[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 63051426
2-[3,5-difluoro-4-(3-methylmorpholin-4-yl)phenyl]ethanamine
CID 63783744
4-[5-chloro-4-(chloromethyl)-2-pyridinyl]-3-ethylmorpholine
CID 114920876
3-ethyl-4-phenylmorpholine
CID 154695616
(1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939791
5-chloro-2-(3-ethylmorpholin-4-yl)benzaldehyde
CID 114843991
4-chloro-6-(3-ethylmorpholin-4-yl)-N-methylpyrimidin-2-amine
CID 76806771
[4-chloro-2-(3-ethylmorpholin-4-yl)phenyl]methanamine
CID 63082825
4-[4-(bromomethyl)phenyl]-3-ethylmorpholine
CID 107080615
[4-(5-ethyl-2-methylmorpholin-4-yl)-3,5-difluorophenyl]methanamine
CID 63078187
1-[4-(bromomethyl)-2,6-difluorophenyl]-2-ethylpiperidine
CID 107079893

Frequently Asked Questions

What is the IUPAC name of 4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine?
The IUPAC name of 4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine (CID 63075679) is 4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine.
What is the SMILES notation for 4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine?
The canonical SMILES for 4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine is CCC1COCCN1c1c(F)cc(CCl)cc1F.
What is the InChIKey of 4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine?
The InChIKey is ATROFDCCQFOKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO/c1-2-10-8-18-4-3-17(10)13-11(15)5-9(7-14)6-12(13)16/h5-6,10H,2-4,7-8H2,1H3.
What are the key properties of 4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine?
4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine has a molecular weight of 275.73 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(chloromethyl)-2,6-difluorophenyl]-3-ethylmorpholine is sourced from PubChem (CID 63075679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).