3-[(2-chloro-6-fluorophenyl)methyl]morpholine

C11H13ClFNO — CID 82288651

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]morpholine
SMILESFc1cccc(Cl)c1CC1COCCN1
InChIInChI=1S/C11H13ClFNO/c12-10-2-1-3-11(13)9(10)6-8-7-15-5-4-14-8/h1-3,8,14H,4-7H2
InChIKeyCDYSKXOKVSHYGS-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.01
Rot. Bonds2

About 3-[(2-chloro-6-fluorophenyl)methyl]morpholine

3-[(2-chloro-6-fluorophenyl)methyl]morpholine (PubChem CID 82288651) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]morpholine
PubChem CID82288651
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]morpholine
SMILESFc1cccc(Cl)c1CC1COCCN1
InChIInChI=1S/C11H13ClFNO/c12-10-2-1-3-11(13)9(10)6-8-7-15-5-4-14-8/h1-3,8,14H,4-7H2
InChIKeyCDYSKXOKVSHYGS-UHFFFAOYSA-N
XLogP2.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2,6-difluorophenyl)ethyl]morpholine
CID 104704070
3-[(2,3-dichlorophenyl)methyl]morpholine
CID 82294990
2-[(2-chloro-6-fluorophenyl)methyl]oxirane
CID 87314733
(3S,4S)-3-[(2-chloro-6-fluorophenyl)methyl]oxane-4-thiol
CID 97168653
7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole
CID 83859336
3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine
CID 112741025
2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol
CID 113462063
3-(naphthalen-1-ylmethyl)morpholine
CID 66932689
3-[(4-chloro-2-methylphenyl)methyl]morpholine
CID 82287728
3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine
CID 107311248
5-[(2-chloro-6-fluorophenyl)methyl]-3-methylpyrrolidin-2-one
CID 3024933
3-(naphthalen-1-ylmethyl)morpholine;hydrochloride
CID 129319991

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]morpholine?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]morpholine (CID 82288651) is 3-[(2-chloro-6-fluorophenyl)methyl]morpholine.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]morpholine?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]morpholine is Fc1cccc(Cl)c1CC1COCCN1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]morpholine?
The InChIKey is CDYSKXOKVSHYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-10-2-1-3-11(13)9(10)6-8-7-15-5-4-14-8/h1-3,8,14H,4-7H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]morpholine?
3-[(2-chloro-6-fluorophenyl)methyl]morpholine has a molecular weight of 229.68 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 82288651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).