(2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine

C17H21F2N3O2 — CID 124883718

IUPAC(2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
SMILESCn1nccc1CCN1CCO[C@H](c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C17H21F2N3O2/c1-21-14(5-7-20-21)6-8-22-9-10-23-16(12-22)13-3-2-4-15(11-13)24-17(18)19/h2-5,7,11,16-17H,6,8-10,12H2,1H3/t16-/m0/s1
InChIKeyKMFTXNFFHVNMQL-INIZCTEOSA-N
MW337.37 g/mol
LogP2.64
Rot. Bonds6

About (2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine

(2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine (PubChem CID 124883718) has the molecular formula C17H21F2N3O2 and a molecular weight of 337.37 g/mol. Its IUPAC name is (2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine.

Molecular Properties

Compound Name(2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
PubChem CID124883718
Molecular FormulaC17H21F2N3O2
Molecular Weight337.37 g/mol
Exact Mass337.16
IUPAC Name(2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine
SMILESCn1nccc1CCN1CCO[C@H](c2cccc(OC(F)F)c2)C1
InChIInChI=1S/C17H21F2N3O2/c1-21-14(5-7-20-21)6-8-22-9-10-23-16(12-22)13-3-2-4-15(11-13)24-17(18)19/h2-5,7,11,16-17H,6,8-10,12H2,1H3/t16-/m0/s1
InChIKeyKMFTXNFFHVNMQL-INIZCTEOSA-N
XLogP2.64
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.37
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[3-(difluoromethoxy)phenyl]-4-(2-pyrazol-1-ylethyl)morpholine
CID 124571996
3-[[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]methyl]benzoic acid
CID 122029359
2-[3-(difluoromethoxy)phenyl]-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboxamide
CID 126769237
2-[2-[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-2-oxoethyl]sulfanylacetic acid
CID 120551759
2-[3-(difluoromethoxy)phenyl]-4-[1-(furan-2-yl)ethyl]morpholine
CID 91650407
[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 75391938
N-but-3-en-2-yl-2-[3-(difluoromethoxy)phenyl]morpholine-4-carboxamide
CID 75391109
(2R)-2-[3-(difluoromethoxy)phenyl]-4-(4,5-dimethylpyrimidin-2-yl)morpholine
CID 124736073
2-(3-phenylmethoxyphenyl)-4-propylmorpholine
CID 15006489
[2-[3-(difluoromethoxy)phenyl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 75391940
(2R)-4-[2-(2-ethylpyrazol-3-yl)ethyl]-2-thiophen-3-ylmorpholine
CID 124884004
2-[3-(difluoromethoxy)phenyl]-4-[1-(3-pyrrol-1-ylphenyl)ethenyl]morpholine
CID 156573181

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine?
The IUPAC name of (2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine (CID 124883718) is (2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine.
What is the SMILES notation for (2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine?
The canonical SMILES for (2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine is Cn1nccc1CCN1CCO[C@H](c2cccc(OC(F)F)c2)C1.
What is the InChIKey of (2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine?
The InChIKey is KMFTXNFFHVNMQL-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21F2N3O2/c1-21-14(5-7-20-21)6-8-22-9-10-23-16(12-22)13-3-2-4-15(11-13)24-17(18)19/h2-5,7,11,16-17H,6,8-10,12H2,1H3/t16-/m0/s1.
What are the key properties of (2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine?
(2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine has a molecular weight of 337.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[3-(difluoromethoxy)phenyl]-4-[2-(2-methylpyrazol-3-yl)ethyl]morpholine is sourced from PubChem (CID 124883718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).