2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine

C15H21ClFNO — CID 107155036

IUPAC2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine
SMILESCC(C)(C)CC1CNCC(c2ccc(F)c(Cl)c2)O1
InChIInChI=1S/C15H21ClFNO/c1-15(2,3)7-11-8-18-9-14(19-11)10-4-5-13(17)12(16)6-10/h4-6,11,14,18H,7-9H2,1-3H3
InChIKeyMIOAGTHXOAHPDN-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.94
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine

2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine (PubChem CID 107155036) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine
PubChem CID107155036
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine
SMILESCC(C)(C)CC1CNCC(c2ccc(F)c(Cl)c2)O1
InChIInChI=1S/C15H21ClFNO/c1-15(2,3)7-11-8-18-9-14(19-11)10-4-5-13(17)12(16)6-10/h4-6,11,14,18H,7-9H2,1-3H3
InChIKeyMIOAGTHXOAHPDN-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-difluorophenyl)-6-(2,2-dimethylpropyl)morpholine
CID 107155067
3-[6-(2,2-dimethylpropyl)morpholin-2-yl]benzonitrile
CID 107155080
2-(bromomethyl)-5-(3-chloro-4-fluorophenyl)oxolane
CID 130582503
6-(3-chloro-4-fluorophenyl)-2-ethyl-2-methylmorpholine
CID 65102383
2-(3-chloro-4-fluorophenyl)-1,4-oxazepane
CID 43498384
2-(3-chloro-4-fluorophenyl)-5-ethylmorpholine
CID 43366861
2-(3-chloro-4-fluorophenyl)-5,5-diethylmorpholine
CID 62518626
2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine
CID 106288333
(2S,6S)-2-(3-chlorophenyl)-6-methylmorpholine
CID 39243005
(2R,6R)-2-(3-chlorophenyl)-6-methylmorpholine
CID 39242999
2-(3-chloro-4-fluorophenyl)thiomorpholine
CID 82649796
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine (CID 107155036) is 2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine is CC(C)(C)CC1CNCC(c2ccc(F)c(Cl)c2)O1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine?
The InChIKey is MIOAGTHXOAHPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-15(2,3)7-11-8-18-9-14(19-11)10-4-5-13(17)12(16)6-10/h4-6,11,14,18H,7-9H2,1-3H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine?
2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine has a molecular weight of 285.79 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-6-(2,2-dimethylpropyl)morpholine is sourced from PubChem (CID 107155036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).