1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine

C39H24F12NP3 — CID 132563501

IUPAC1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine
SMILESFc1cc(F)cc(P(CN(CP(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)CP(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C39H24F12NP3/c40-22-1-23(41)8-34(7-22)53(35-9-24(42)2-25(43)10-35)19-52(20-54(36-11-26(44)3-27(45)12-36)37-13-28(46)4-29(47)14-37)21-55(38-15-30(48)5-31(49)16-38)39-17-32(50)6-33(51)18-39/h1-18H,19-21H2
InChIKeyQVKWMHHEJBJRIP-UHFFFAOYSA-N
MW827.53 g/mol
LogP9.23
Rot. Bonds12

About 1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine

1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine (PubChem CID 132563501) has the molecular formula C39H24F12NP3 and a molecular weight of 827.53 g/mol. Its IUPAC name is 1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine.

Molecular Properties

Compound Name1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine
PubChem CID132563501
Molecular FormulaC39H24F12NP3
Molecular Weight827.53 g/mol
Exact Mass827.09
IUPAC Name1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine
SMILESFc1cc(F)cc(P(CN(CP(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)CP(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1
InChIInChI=1S/C39H24F12NP3/c40-22-1-23(41)8-34(7-22)53(35-9-24(42)2-25(43)10-35)19-52(20-54(36-11-26(44)3-27(45)12-36)37-13-28(46)4-29(47)14-37)21-55(38-15-30(48)5-31(49)16-38)39-17-32(50)6-33(51)18-39/h1-18H,19-21H2
InChIKeyQVKWMHHEJBJRIP-UHFFFAOYSA-N
XLogP9.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.53
LogP ≤ 59.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(3,5-difluorophenyl)phosphinite
CID 22415861
dichloro-(3,5-difluorophenyl)phosphane
CID 22925460
[(1S,2R,3R,4R)-3-[bis(3,5-difluorophenyl)phosphanylmethyl]-2-bicyclo[2.2.1]heptanyl]methyl-bis(3,5-difluorophenyl)phosphane
CID 10865143
1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
CID 54036374
1-(2-chloropropyl)-3,5-difluorobenzene
CID 126973917
3,5-difluorobenzenethiol;methane;dihydrochloride
CID 174757194
ethane;1-fluoro-3,5-dimethylbenzene;propane
CID 143107717
(3,5-difluorophenyl)-methylazanide
CID 123251444
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
1-(3-bromopropyl)-3,5-difluorobenzene
CID 53433983
1-chloro-3,5-difluorobenzene
CID 159732874
3,5-difluorophenol
CID 159284632

Frequently Asked Questions

What is the IUPAC name of 1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine?
The IUPAC name of 1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine (CID 132563501) is 1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine.
What is the SMILES notation for 1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine?
The canonical SMILES for 1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine is Fc1cc(F)cc(P(CN(CP(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)CP(c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine?
The InChIKey is QVKWMHHEJBJRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H24F12NP3/c40-22-1-23(41)8-34(7-22)53(35-9-24(42)2-25(43)10-35)19-52(20-54(36-11-26(44)3-27(45)12-36)37-13-28(46)4-29(47)14-37)21-55(38-15-30(48)5-31(49)16-38)39-17-32(50)6-33(51)18-39/h1-18H,19-21H2.
What are the key properties of 1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine?
1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine has a molecular weight of 827.53 g/mol, XLogP of 9.23, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(3,5-difluorophenyl)phosphanyl-N,N-bis[bis(3,5-difluorophenyl)phosphanylmethyl]methanamine is sourced from PubChem (CID 132563501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).