(2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine

C17H17ClFNOS — CID 58610144

IUPAC(2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine
SMILESFc1cccc([C@@H](Sc2ccccc2Cl)[C@H]2CNCCO2)c1
InChIInChI=1S/C17H17ClFNOS/c18-14-6-1-2-7-16(14)22-17(15-11-20-8-9-21-15)12-4-3-5-13(19)10-12/h1-7,10,15,17,20H,8-9,11H2/t15-,17-/m1/s1
InChIKeyYCBRABXGDNXSBU-NVXWUHKLSA-N
MW337.85 g/mol
LogP4.30
Rot. Bonds4

About (2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine

(2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine (PubChem CID 58610144) has the molecular formula C17H17ClFNOS and a molecular weight of 337.85 g/mol. Its IUPAC name is (2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine
PubChem CID58610144
Molecular FormulaC17H17ClFNOS
Molecular Weight337.85 g/mol
Exact Mass337.07
IUPAC Name(2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine
SMILESFc1cccc([C@@H](Sc2ccccc2Cl)[C@H]2CNCCO2)c1
InChIInChI=1S/C17H17ClFNOS/c18-14-6-1-2-7-16(14)22-17(15-11-20-8-9-21-15)12-4-3-5-13(19)10-12/h1-7,10,15,17,20H,8-9,11H2/t15-,17-/m1/s1
InChIKeyYCBRABXGDNXSBU-NVXWUHKLSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2-chloro-6-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68597015
2-[(R)-(4-fluorophenyl)-(2-methoxyphenyl)sulfanylmethyl]morpholine
CID 91583173
(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68599403
(2R)-2-[(2-ethylphenyl)sulfanyl-phenylmethyl]morpholine
CID 69432021
(2S)-2-[(S)-(2-methoxyphenyl)sulfanyl-phenylmethyl]morpholine
CID 11594827
2-[(2-ethoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 11530042
2-[(3-fluorophenyl)-[(2S)-morpholin-2-yl]methoxy]benzonitrile;hydrochloride
CID 68597668
(2S)-2-[[3-(4-fluorophenyl)-2-pyridinyl]sulfanyl-phenylmethyl]morpholine
CID 68822760
(2S)-2-[(2-chloro-4-fluorophenoxy)-(3-methylphenyl)methyl]morpholine
CID 68596273
(2S)-2-[(S)-(2-chloro-5-fluorophenoxy)-(3-methylphenyl)methyl]morpholine;hydrochloride
CID 68597724
2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 90905333
(2S)-2-[(3-fluorophenyl)-(2-methoxy-4-methylphenoxy)methyl]morpholine;hydrochloride
CID 68598484

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine?
The IUPAC name of (2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine (CID 58610144) is (2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine.
What is the SMILES notation for (2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine?
The canonical SMILES for (2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine is Fc1cccc([C@@H](Sc2ccccc2Cl)[C@H]2CNCCO2)c1.
What is the InChIKey of (2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine?
The InChIKey is YCBRABXGDNXSBU-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H17ClFNOS/c18-14-6-1-2-7-16(14)22-17(15-11-20-8-9-21-15)12-4-3-5-13(19)10-12/h1-7,10,15,17,20H,8-9,11H2/t15-,17-/m1/s1.
What are the key properties of (2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine?
(2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine has a molecular weight of 337.85 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(R)-(2-chlorophenyl)sulfanyl-(3-fluorophenyl)methyl]morpholine is sourced from PubChem (CID 58610144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).