(2R)-5-[(4-chlorophenyl)methyl]-2-[(1S)-1-fluoroethyl]morpholine

C13H17ClFNO — CID 155577037

IUPAC(2R)-5-[(4-chlorophenyl)methyl]-2-[(1S)-1-fluoroethyl]morpholine
SMILESC[C@H](F)[C@H]1CNC(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C13H17ClFNO/c1-9(15)13-7-16-12(8-17-13)6-10-2-4-11(14)5-3-10/h2-5,9,12-13,16H,6-8H2,1H3/t9-,12?,13+/m0/s1
InChIKeyTTWTWZVVQHYHKN-OBBQPFKBSA-N
MW257.74 g/mol
LogP2.60
Rot. Bonds3

About (2R)-5-[(4-chlorophenyl)methyl]-2-[(1S)-1-fluoroethyl]morpholine

(2R)-5-[(4-chlorophenyl)methyl]-2-[(1S)-1-fluoroethyl]morpholine (PubChem CID 155577037) has the molecular formula C13H17ClFNO and a molecular weight of 257.74 g/mol. Its IUPAC name is (2R)-5-[(4-chlorophenyl)methyl]-2-[(1S)-1-fluoroethyl]morpholine.

Molecular Properties

Compound Name(2R)-5-[(4-chlorophenyl)methyl]-2-[(1S)-1-fluoroethyl]morpholine
PubChem CID155577037
Molecular FormulaC13H17ClFNO
Molecular Weight257.74 g/mol
Exact Mass257.10
IUPAC Name(2R)-5-[(4-chlorophenyl)methyl]-2-[(1S)-1-fluoroethyl]morpholine
SMILESC[C@H](F)[C@H]1CNC(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C13H17ClFNO/c1-9(15)13-7-16-12(8-17-13)6-10-2-4-11(14)5-3-10/h2-5,9,12-13,16H,6-8H2,1H3/t9-,12?,13+/m0/s1
InChIKeyTTWTWZVVQHYHKN-OBBQPFKBSA-N
XLogP2.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-Chlorophenyl)-3-methylmorpholine
CID 215992
2-(4-Chlorophenyl)morpholine
CID 5154931
3-Benzylmorpholine hydrochloride
CID 17749819
3-(4-Chlorophenyl)morpholine hydrochloride
CID 17749821
2-(3-Chlorophenyl)-5,5-dimethylmorpholine
CID 24271569
3-(3-Chlorophenyl)morpholine HCl
CID 24271589
(2S)-2-(4-chlorophenyl)morpholine
CID 42182837
2-(3-Chlorophenyl)-5-methylmorpholine
CID 43367106
[1-(4-Chlorophenyl)-2-methoxyethyl](methyl)amine
CID 61553177
4-(4-chlorophenyl)-N-(2-methoxyethyl)oxan-4-amine
CID 53593528
4-(4-chlorophenyl)-N-propyloxan-4-amine
CID 56783645
4-(4-chlorophenyl)-N-(2-propan-2-yloxyethyl)oxan-4-amine
CID 72020766

Frequently Asked Questions

What is the IUPAC name of (2R)-5-[(4-chlorophenyl)methyl]-2-[(1S)-1-fluoroethyl]morpholine?
The IUPAC name of (2R)-5-[(4-chlorophenyl)methyl]-2-[(1S)-1-fluoroethyl]morpholine (CID 155577037) is (2R)-5-[(4-chlorophenyl)methyl]-2-[(1S)-1-fluoroethyl]morpholine.
What is the SMILES notation for (2R)-5-[(4-chlorophenyl)methyl]-2-[(1S)-1-fluoroethyl]morpholine?
The canonical SMILES for (2R)-5-[(4-chlorophenyl)methyl]-2-[(1S)-1-fluoroethyl]morpholine is C[C@H](F)[C@H]1CNC(Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of (2R)-5-[(4-chlorophenyl)methyl]-2-[(1S)-1-fluoroethyl]morpholine?
The InChIKey is TTWTWZVVQHYHKN-OBBQPFKBSA-N. The full InChI is InChI=1S/C13H17ClFNO/c1-9(15)13-7-16-12(8-17-13)6-10-2-4-11(14)5-3-10/h2-5,9,12-13,16H,6-8H2,1H3/t9-,12?,13+/m0/s1.
What are the key properties of (2R)-5-[(4-chlorophenyl)methyl]-2-[(1S)-1-fluoroethyl]morpholine?
(2R)-5-[(4-chlorophenyl)methyl]-2-[(1S)-1-fluoroethyl]morpholine has a molecular weight of 257.74 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[(4-chlorophenyl)methyl]-2-[(1S)-1-fluoroethyl]morpholine is sourced from PubChem (CID 155577037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).