bis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane

C72H88F4IN3P4 — CID 159488264

IUPACbis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane
SMILESCC.CCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.CCCCNP1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.CCN(CC)CC.Fc1ccccc1P(I)c1ccccc1F
InChIInChI=1S/C32H33F2NP2.C20H26NP.C12H8F2IP.C6H15N.C2H6/c1-2-3-24-35(37(31-20-12-10-18-27(31)33)32-21-13-11-19-28(32)34)36-29(25-14-6-4-7-15-25)22-23-30(36)26-16-8-5-9-17-26;1-2-3-16-21-22-19(17-10-6-4-7-11-17)14-15-20(22)18-12-8-5-9-13-18;13-9-5-1-3-7-11(9)16(15)12-8-4-2-6-10(12)14;1-4-7(5-2)6-3;1-2/h4-21,29-30H,2-3,22-24H2,1H3;4-13,19-21H,2-3,14-16H2,1H3;1-8H;4-6H2,1-3H3;1-2H3/t29-,30-;19-,20-;;;/m10.../s1
InChIKeyLXVVVRBNAOZTNW-CYNYNGKYSA-N
MW1322.31 g/mol
LogP21.26
Rot. Bonds20

About bis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane

bis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane (PubChem CID 159488264) has the molecular formula C72H88F4IN3P4 and a molecular weight of 1322.31 g/mol. Its IUPAC name is bis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane.

Molecular Properties

Compound Namebis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane
PubChem CID159488264
Molecular FormulaC72H88F4IN3P4
Molecular Weight1322.31 g/mol
Exact Mass1321.49
IUPAC Namebis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane
SMILESCC.CCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.CCCCNP1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.CCN(CC)CC.Fc1ccccc1P(I)c1ccccc1F
InChIInChI=1S/C32H33F2NP2.C20H26NP.C12H8F2IP.C6H15N.C2H6/c1-2-3-24-35(37(31-20-12-10-18-27(31)33)32-21-13-11-19-28(32)34)36-29(25-14-6-4-7-15-25)22-23-30(36)26-16-8-5-9-17-26;1-2-3-16-21-22-19(17-10-6-4-7-11-17)14-15-20(22)18-12-8-5-9-13-18;13-9-5-1-3-7-11(9)16(15)12-8-4-2-6-10(12)14;1-4-7(5-2)6-3;1-2/h4-21,29-30H,2-3,22-24H2,1H3;4-13,19-21H,2-3,14-16H2,1H3;1-8H;4-6H2,1-3H3;1-2H3/t29-,30-;19-,20-;;;/m10.../s1
InChIKeyLXVVVRBNAOZTNW-CYNYNGKYSA-N
XLogP21.26
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds20
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001322.31
LogP ≤ 521.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis(2-fluorophenyl)-iodophosphane;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;N,N-diethylethanamine;methane
CID 162128225
(2R,5R)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine;(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine;iodo(diphenyl)phosphane;methane
CID 157448655
(2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344325
(2R,5R)-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344024
(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 134344248
(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(4-tert-butylphenyl)phospholan-1-amine;(2S,5S)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-bis(3,5-dimethylphenyl)phospholan-1-amine
CID 161127303
N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
CID 140850127
(2R,5S)-N-butyl-N-diphenylphosphanyl-2,5-diphenylphospholan-1-amine
CID 134344067
(2S,5S)-N-butyl-N-diethylphosphanyl-2,5-diphenylphospholan-1-amine
CID 138466209
(2S,5S)-N-butyl-N-[naphthalen-1-yl(phenyl)phosphanyl]-2,5-diphenylphospholan-1-amine
CID 138466205
(2S,5S)-N-bis(2,3-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,6-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(4-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-bis(3,4,5-trifluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;chromium
CID 157202157
N-butyl-N-di(thiophen-3-yl)phosphanyl-2,5-diphenylphospholan-1-amine
CID 140850176

Frequently Asked Questions

What is the IUPAC name of bis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane?
The IUPAC name of bis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane (CID 159488264) is bis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane.
What is the SMILES notation for bis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane?
The canonical SMILES for bis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane is CC.CCCCN(P(c1ccccc1F)c1ccccc1F)P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.CCCCNP1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.CCN(CC)CC.Fc1ccccc1P(I)c1ccccc1F.
What is the InChIKey of bis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane?
The InChIKey is LXVVVRBNAOZTNW-CYNYNGKYSA-N. The full InChI is InChI=1S/C32H33F2NP2.C20H26NP.C12H8F2IP.C6H15N.C2H6/c1-2-3-24-35(37(31-20-12-10-18-27(31)33)32-21-13-11-19-28(32)34)36-29(25-14-6-4-7-15-25)22-23-30(36)26-16-8-5-9-17-26;1-2-3-16-21-22-19(17-10-6-4-7-11-17)14-15-20(22)18-12-8-5-9-13-18;13-9-5-1-3-7-11(9)16(15)12-8-4-2-6-10(12)14;1-4-7(5-2)6-3;1-2/h4-21,29-30H,2-3,22-24H2,1H3;4-13,19-21H,2-3,14-16H2,1H3;1-8H;4-6H2,1-3H3;1-2H3/t29-,30-;19-,20-;;;/m10.../s1.
What are the key properties of bis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane?
bis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane has a molecular weight of 1322.31 g/mol, XLogP of 21.26, 20 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-fluorophenyl)-iodophosphane;(2R,5R)-N-bis(2-fluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine;(2S,5S)-N-butyl-2,5-diphenylphospholan-1-amine;N,N-diethylethanamine;ethane is sourced from PubChem (CID 159488264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).