(2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine

C14H17F2NO2 — CID 59166841

IUPAC(2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine
SMILESFc1ccc(OC(C2CC2)[C@@H]2CNCCO2)c(F)c1
InChIInChI=1S/C14H17F2NO2/c15-10-3-4-12(11(16)7-10)19-14(9-1-2-9)13-8-17-5-6-18-13/h3-4,7,9,13-14,17H,1-2,5-6,8H2/t13-,14?/m0/s1
InChIKeySKJDAQXQHQZGMT-LSLKUGRBSA-N
MW269.29 g/mol
LogP2.11
Rot. Bonds4

About (2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine

(2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine (PubChem CID 59166841) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is (2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine
PubChem CID59166841
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name(2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine
SMILESFc1ccc(OC(C2CC2)[C@@H]2CNCCO2)c(F)c1
InChIInChI=1S/C14H17F2NO2/c15-10-3-4-12(11(16)7-10)19-14(9-1-2-9)13-8-17-5-6-18-13/h3-4,7,9,13-14,17H,1-2,5-6,8H2/t13-,14?/m0/s1
InChIKeySKJDAQXQHQZGMT-LSLKUGRBSA-N
XLogP2.11
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-difluorophenoxy)-pyridin-2-ylmethyl]morpholine
CID 11594682
2-[(S)-(2-chloro-4-fluorophenoxy)-(4-chlorophenyl)methyl]morpholine
CID 91482587
(2S)-2-[(S)-(2,5-difluorophenoxy)-phenylmethyl]morpholine
CID 59166996
(2S)-2-[(S)-(4-chloro-2-fluorophenoxy)-(3-fluorophenyl)methyl]morpholine
CID 68599403
2-[1-cyclopentyl-2-(5-fluoro-2-methoxyphenyl)ethyl]morpholine
CID 143068489
(2S)-2-[(4-fluoro-2-methylsulfanylphenoxy)-phenylmethyl]morpholine
CID 68542716
2-[(4-chloro-2-fluorophenoxy)-phenylmethyl]morpholine
CID 68597322
2-[(S)-(4-fluoro-2-methoxyphenoxy)-(3-fluorophenyl)methyl]morpholine
CID 90905333
(2R)-2-[(S)-(2-bromophenoxy)-(4-fluorophenyl)methyl]morpholine
CID 68546079
(3S)-3-[(2,4-difluorophenoxy)-phenylmethyl]pyrrolidine
CID 66924540
(2S)-2-[(2-ethoxy-5-fluorophenoxy)-phenylmethyl]morpholine
CID 59166814
(2S)-2-[(S)-(2-chloro-3,5-difluorophenoxy)-phenylmethyl]morpholine
CID 68598775

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine?
The IUPAC name of (2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine (CID 59166841) is (2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine.
What is the SMILES notation for (2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine?
The canonical SMILES for (2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine is Fc1ccc(OC(C2CC2)[C@@H]2CNCCO2)c(F)c1.
What is the InChIKey of (2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine?
The InChIKey is SKJDAQXQHQZGMT-LSLKUGRBSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-10-3-4-12(11(16)7-10)19-14(9-1-2-9)13-8-17-5-6-18-13/h3-4,7,9,13-14,17H,1-2,5-6,8H2/t13-,14?/m0/s1.
What are the key properties of (2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine?
(2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine has a molecular weight of 269.29 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[cyclopropyl-(2,4-difluorophenoxy)methyl]morpholine is sourced from PubChem (CID 59166841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).