(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine

C32H25F10NP2 — CID 134344248

IUPAC(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
SMILESCCCCN(P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C32H25F10NP2/c1-2-3-16-43(44-19(17-10-6-4-7-11-17)14-15-20(44)18-12-8-5-9-13-18)45(31-27(39)23(35)21(33)24(36)28(31)40)32-29(41)25(37)22(34)26(38)30(32)42/h4-13,19-20H,2-3,14-16H2,1H3/t19-,20-/m0/s1
InChIKeyYQPBLHRMCIVBJV-PMACEKPBSA-N
MW675.49 g/mol
LogP10.20
Rot. Bonds9

About (2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)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 (PubChem CID 134344248) has the molecular formula C32H25F10NP2 and a molecular weight of 675.49 g/mol. Its IUPAC name is (2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine.

Molecular Properties

Compound Name(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
PubChem CID134344248
Molecular FormulaC32H25F10NP2
Molecular Weight675.49 g/mol
Exact Mass675.13
IUPAC Name(2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
SMILESCCCCN(P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1
InChIInChI=1S/C32H25F10NP2/c1-2-3-16-43(44-19(17-10-6-4-7-11-17)14-15-20(44)18-12-8-5-9-13-18)45(31-27(39)23(35)21(33)24(36)28(31)40)32-29(41)25(37)22(34)26(38)30(32)42/h4-13,19-20H,2-3,14-16H2,1H3/t19-,20-/m0/s1
InChIKeyYQPBLHRMCIVBJV-PMACEKPBSA-N
XLogP10.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500675.49
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine?
The IUPAC name of (2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine (CID 134344248) is (2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine.
What is the SMILES notation for (2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine?
The canonical SMILES for (2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine is CCCCN(P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)P1[C@H](c2ccccc2)CC[C@H]1c1ccccc1.
What is the InChIKey of (2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine?
The InChIKey is YQPBLHRMCIVBJV-PMACEKPBSA-N. The full InChI is InChI=1S/C32H25F10NP2/c1-2-3-16-43(44-19(17-10-6-4-7-11-17)14-15-20(44)18-12-8-5-9-13-18)45(31-27(39)23(35)21(33)24(36)28(31)40)32-29(41)25(37)22(34)26(38)30(32)42/h4-13,19-20H,2-3,14-16H2,1H3/t19-,20-/m0/s1.
What are the key properties of (2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)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 has a molecular weight of 675.49 g/mol, XLogP of 10.20, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine is sourced from PubChem (CID 134344248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).