(2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine

C32H31F4NP2 — CID 134344325

IUPAC(2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
SMILESCCCCN(P(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1)P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C32H31F4NP2/c1-2-3-16-37(38(29-19-25(33)17-26(34)20-29)30-21-27(35)18-28(36)22-30)39-31(23-10-6-4-7-11-23)14-15-32(39)24-12-8-5-9-13-24/h4-13,17-22,31-32H,2-3,14-16H2,1H3/t31-,32-/m1/s1
InChIKeyHETFRPKISBEQKD-ROJLCIKYSA-N
MW567.55 g/mol
LogP9.37
Rot. Bonds9

About (2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine

(2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine (PubChem CID 134344325) has the molecular formula C32H31F4NP2 and a molecular weight of 567.55 g/mol. Its IUPAC name is (2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine.

Molecular Properties

Compound Name(2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
PubChem CID134344325
Molecular FormulaC32H31F4NP2
Molecular Weight567.55 g/mol
Exact Mass567.19
IUPAC Name(2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine
SMILESCCCCN(P(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1)P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1
InChIInChI=1S/C32H31F4NP2/c1-2-3-16-37(38(29-19-25(33)17-26(34)20-29)30-21-27(35)18-28(36)22-30)39-31(23-10-6-4-7-11-23)14-15-32(39)24-12-8-5-9-13-24/h4-13,17-22,31-32H,2-3,14-16H2,1H3/t31-,32-/m1/s1
InChIKeyHETFRPKISBEQKD-ROJLCIKYSA-N
XLogP9.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.55
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine?
The IUPAC name of (2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine (CID 134344325) is (2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine.
What is the SMILES notation for (2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine?
The canonical SMILES for (2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine is CCCCN(P(c1cc(F)cc(F)c1)c1cc(F)cc(F)c1)P1[C@@H](c2ccccc2)CC[C@@H]1c1ccccc1.
What is the InChIKey of (2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine?
The InChIKey is HETFRPKISBEQKD-ROJLCIKYSA-N. The full InChI is InChI=1S/C32H31F4NP2/c1-2-3-16-37(38(29-19-25(33)17-26(34)20-29)30-21-27(35)18-28(36)22-30)39-31(23-10-6-4-7-11-23)14-15-32(39)24-12-8-5-9-13-24/h4-13,17-22,31-32H,2-3,14-16H2,1H3/t31-,32-/m1/s1.
What are the key properties of (2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine?
(2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine has a molecular weight of 567.55 g/mol, XLogP of 9.37, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N-bis(3,5-difluorophenyl)phosphanyl-N-butyl-2,5-diphenylphospholan-1-amine is sourced from PubChem (CID 134344325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).