N,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine

C24H24F12NO4P — CID 102119317

IUPACN,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine
SMILESCCN(CC)P1(OCc2ccccc2)(OCc2ccccc2)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C24H24F12NO4P/c1-3-37(4-2)42(38-15-17-11-7-5-8-12-17,39-16-18-13-9-6-10-14-18)40-19(21(25,26)27,22(28,29)30)20(41-42,23(31,32)33)24(34,35)36/h5-14H,3-4,15-16H2,1-2H3
InChIKeyJAYWCTAMKRURCF-UHFFFAOYSA-N
MW649.41 g/mol
LogP8.66
Rot. Bonds9

About N,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine

N,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine (PubChem CID 102119317) has the molecular formula C24H24F12NO4P and a molecular weight of 649.41 g/mol. Its IUPAC name is N,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine.

Molecular Properties

Compound NameN,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine
PubChem CID102119317
Molecular FormulaC24H24F12NO4P
Molecular Weight649.41 g/mol
Exact Mass649.13
IUPAC NameN,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine
SMILESCCN(CC)P1(OCc2ccccc2)(OCc2ccccc2)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1
InChIInChI=1S/C24H24F12NO4P/c1-3-37(4-2)42(38-15-17-11-7-5-8-12-17,39-16-18-13-9-6-10-14-18)40-19(21(25,26)27,22(28,29)30)20(41-42,23(31,32)33)24(34,35)36/h5-14H,3-4,15-16H2,1-2H3
InChIKeyJAYWCTAMKRURCF-UHFFFAOYSA-N
XLogP8.66
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.41
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-2,2-diphenyl-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholane
CID 23418974
2,2-difluorobutylbenzene
CID 12695736
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
CID 58044547
(213C)ethoxymethylbenzene
CID 87947851
N,N-diethyl-1,1,1-trifluoro-3-phenylpropan-2-amine
CID 101465412
1,1-difluorohexoxymethylbenzene
CID 67797942
2,2-difluoro-1-phenylmethoxybutan-1-amine
CID 54533469
(2S)-3,3,3-trifluoro-2-methyl-2-phenylmethoxypropanal
CID 15852818
ethane;phenylmethoxymethylbenzene
CID 90943549
[[bromo(difluoro)methyl]-phenylmethoxyphosphoryl]oxymethylbenzene
CID 19751870
1,3-bis[(2,2-difluoro-3-phenylmethoxypropoxy)methyl]benzene
CID 101245599
N,N-diethyl-1-phenylmethoxyethanamine
CID 22369442

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine?
The IUPAC name of N,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine (CID 102119317) is N,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine.
What is the SMILES notation for N,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine?
The canonical SMILES for N,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine is CCN(CC)P1(OCc2ccccc2)(OCc2ccccc2)OC(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)O1.
What is the InChIKey of N,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine?
The InChIKey is JAYWCTAMKRURCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F12NO4P/c1-3-37(4-2)42(38-15-17-11-7-5-8-12-17,39-16-18-13-9-6-10-14-18)40-19(21(25,26)27,22(28,29)30)20(41-42,23(31,32)33)24(34,35)36/h5-14H,3-4,15-16H2,1-2H3.
What are the key properties of N,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine?
N,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine has a molecular weight of 649.41 g/mol, XLogP of 8.66, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,2-bis(phenylmethoxy)-4,4,5,5-tetrakis(trifluoromethyl)-1,3,2λ5-dioxaphospholan-2-amine is sourced from PubChem (CID 102119317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).