(2R)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-N-phosphanyl-3,4-dihydro-2H-pyran-3-amine;ethane

C19H31F2N2O2P — CID 145406227

IUPAC(2R)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-N-phosphanyl-3,4-dihydro-2H-pyran-3-amine;ethane
SMILESCC.CC.Fc1ccc(F)c([C@H]2OC=C(N3CCOCC3)CC2NP)c1
InChIInChI=1S/C15H19F2N2O2P.2C2H6/c16-10-1-2-13(17)12(7-10)15-14(18-22)8-11(9-21-15)19-3-5-20-6-4-19;2*1-2/h1-2,7,9,14-15,18H,3-6,8,22H2;2*1-2H3/t14?,15-;;/m1../s1
InChIKeyNQYFXALHPMIEDI-GDUJOYNKSA-N
MW388.44 g/mol
LogP4.40
Rot. Bonds3

About (2R)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-N-phosphanyl-3,4-dihydro-2H-pyran-3-amine;ethane

(2R)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-N-phosphanyl-3,4-dihydro-2H-pyran-3-amine;ethane (PubChem CID 145406227) has the molecular formula C19H31F2N2O2P and a molecular weight of 388.44 g/mol. Its IUPAC name is (2R)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-N-phosphanyl-3,4-dihydro-2H-pyran-3-amine;ethane.

Molecular Properties

Compound Name(2R)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-N-phosphanyl-3,4-dihydro-2H-pyran-3-amine;ethane
PubChem CID145406227
Molecular FormulaC19H31F2N2O2P
Molecular Weight388.44 g/mol
Exact Mass388.21
IUPAC Name(2R)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-N-phosphanyl-3,4-dihydro-2H-pyran-3-amine;ethane
SMILESCC.CC.Fc1ccc(F)c([C@H]2OC=C(N3CCOCC3)CC2NP)c1
InChIInChI=1S/C15H19F2N2O2P.2C2H6/c16-10-1-2-13(17)12(7-10)15-14(18-22)8-11(9-21-15)19-3-5-20-6-4-19;2*1-2/h1-2,7,9,14-15,18H,3-6,8,22H2;2*1-2H3/t14?,15-;;/m1../s1
InChIKeyNQYFXALHPMIEDI-GDUJOYNKSA-N
XLogP4.40
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-N-phosphanyl-3,4-dihydro-2H-pyran-3-amine;ethane?
The IUPAC name of (2R)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-N-phosphanyl-3,4-dihydro-2H-pyran-3-amine;ethane (CID 145406227) is (2R)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-N-phosphanyl-3,4-dihydro-2H-pyran-3-amine;ethane.
What is the SMILES notation for (2R)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-N-phosphanyl-3,4-dihydro-2H-pyran-3-amine;ethane?
The canonical SMILES for (2R)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-N-phosphanyl-3,4-dihydro-2H-pyran-3-amine;ethane is CC.CC.Fc1ccc(F)c([C@H]2OC=C(N3CCOCC3)CC2NP)c1.
What is the InChIKey of (2R)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-N-phosphanyl-3,4-dihydro-2H-pyran-3-amine;ethane?
The InChIKey is NQYFXALHPMIEDI-GDUJOYNKSA-N. The full InChI is InChI=1S/C15H19F2N2O2P.2C2H6/c16-10-1-2-13(17)12(7-10)15-14(18-22)8-11(9-21-15)19-3-5-20-6-4-19;2*1-2/h1-2,7,9,14-15,18H,3-6,8,22H2;2*1-2H3/t14?,15-;;/m1../s1.
What are the key properties of (2R)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-N-phosphanyl-3,4-dihydro-2H-pyran-3-amine;ethane?
(2R)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-N-phosphanyl-3,4-dihydro-2H-pyran-3-amine;ethane has a molecular weight of 388.44 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-difluorophenyl)-5-morpholin-4-yl-N-phosphanyl-3,4-dihydro-2H-pyran-3-amine;ethane is sourced from PubChem (CID 145406227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).