(2R)-5-[(4-chlorophenyl)methyl]-2-(1,1-difluoroethyl)morpholine

C13H16ClF2NO — CID 155577006

IUPAC(2R)-5-[(4-chlorophenyl)methyl]-2-(1,1-difluoroethyl)morpholine
SMILESCC(F)(F)[C@H]1CNC(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C13H16ClF2NO/c1-13(15,16)12-7-17-11(8-18-12)6-9-2-4-10(14)5-3-9/h2-5,11-12,17H,6-8H2,1H3/t11?,12-/m1/s1
InChIKeyPYQXCIPGAOWWIW-PIJUOVFKSA-N
MW275.73 g/mol
LogP2.89
Rot. Bonds3

About (2R)-5-[(4-chlorophenyl)methyl]-2-(1,1-difluoroethyl)morpholine

(2R)-5-[(4-chlorophenyl)methyl]-2-(1,1-difluoroethyl)morpholine (PubChem CID 155577006) has the molecular formula C13H16ClF2NO and a molecular weight of 275.73 g/mol. Its IUPAC name is (2R)-5-[(4-chlorophenyl)methyl]-2-(1,1-difluoroethyl)morpholine.

Molecular Properties

Compound Name(2R)-5-[(4-chlorophenyl)methyl]-2-(1,1-difluoroethyl)morpholine
PubChem CID155577006
Molecular FormulaC13H16ClF2NO
Molecular Weight275.73 g/mol
Exact Mass275.09
IUPAC Name(2R)-5-[(4-chlorophenyl)methyl]-2-(1,1-difluoroethyl)morpholine
SMILESCC(F)(F)[C@H]1CNC(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C13H16ClF2NO/c1-13(15,16)12-7-17-11(8-18-12)6-9-2-4-10(14)5-3-9/h2-5,11-12,17H,6-8H2,1H3/t11?,12-/m1/s1
InChIKeyPYQXCIPGAOWWIW-PIJUOVFKSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.73
LogP ≤ 52.89
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-(4-Chlorophenyl)morpholine hydrochloride
CID 17749821
(2S)-2-(4-chlorophenyl)morpholine
CID 42182837
4-(4-chlorophenyl)-N-(2-methoxyethyl)oxan-4-amine
CID 53593528
4-(4-chlorophenyl)-N-(2-propan-2-yloxyethyl)oxan-4-amine
CID 72020766
4-(4-chlorophenyl)-N-(2-ethoxyethyl)oxan-4-amine
CID 72127516
(2R)-2-(4-chlorophenyl)morpholine
CID 40425133
3-(4-Chloro-3-fluorophenyl)morpholine
CID 129944039
N-[2-(3-chlorophenyl)ethyl]-2-methoxycyclohexan-1-amine
CID 2853463
(2S,5S)-5-(4-Chlorobenzyl)-2-methylmorpholine
CID 95447087
(2S,5S)-5-(4-Chlorobenzyl)-2-methyl-4-(piperidin-4-yl)morpholine
CID 126642076

Frequently Asked Questions

What is the IUPAC name of (2R)-5-[(4-chlorophenyl)methyl]-2-(1,1-difluoroethyl)morpholine?
The IUPAC name of (2R)-5-[(4-chlorophenyl)methyl]-2-(1,1-difluoroethyl)morpholine (CID 155577006) is (2R)-5-[(4-chlorophenyl)methyl]-2-(1,1-difluoroethyl)morpholine.
What is the SMILES notation for (2R)-5-[(4-chlorophenyl)methyl]-2-(1,1-difluoroethyl)morpholine?
The canonical SMILES for (2R)-5-[(4-chlorophenyl)methyl]-2-(1,1-difluoroethyl)morpholine is CC(F)(F)[C@H]1CNC(Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of (2R)-5-[(4-chlorophenyl)methyl]-2-(1,1-difluoroethyl)morpholine?
The InChIKey is PYQXCIPGAOWWIW-PIJUOVFKSA-N. The full InChI is InChI=1S/C13H16ClF2NO/c1-13(15,16)12-7-17-11(8-18-12)6-9-2-4-10(14)5-3-9/h2-5,11-12,17H,6-8H2,1H3/t11?,12-/m1/s1.
What are the key properties of (2R)-5-[(4-chlorophenyl)methyl]-2-(1,1-difluoroethyl)morpholine?
(2R)-5-[(4-chlorophenyl)methyl]-2-(1,1-difluoroethyl)morpholine has a molecular weight of 275.73 g/mol, XLogP of 2.89, 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-(1,1-difluoroethyl)morpholine is sourced from PubChem (CID 155577006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).