N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine

C14H6F10NP — CID 23233872

IUPACN-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine
SMILESCN(C)P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H6F10NP/c1-25(2)26(13-9(21)5(17)3(15)6(18)10(13)22)14-11(23)7(19)4(16)8(20)12(14)24/h1-2H3
InChIKeyUTGVWHXITYZTEO-UHFFFAOYSA-N
MW409.16 g/mol
LogP3.99
Rot. Bonds3

About N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine

N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine (PubChem CID 23233872) has the molecular formula C14H6F10NP and a molecular weight of 409.16 g/mol. Its IUPAC name is N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine.

Molecular Properties

Compound NameN-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine
PubChem CID23233872
Molecular FormulaC14H6F10NP
Molecular Weight409.16 g/mol
Exact Mass409.01
IUPAC NameN-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine
SMILESCN(C)P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C14H6F10NP/c1-25(2)26(13-9(21)5(17)3(15)6(18)10(13)22)14-11(23)7(19)4(16)8(20)12(14)24/h1-2H3
InChIKeyUTGVWHXITYZTEO-UHFFFAOYSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.16
LogP ≤ 53.99
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 N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine?
The IUPAC name of N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine (CID 23233872) is N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine.
What is the SMILES notation for N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine?
The canonical SMILES for N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine is CN(C)P(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine?
The InChIKey is UTGVWHXITYZTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6F10NP/c1-25(2)26(13-9(21)5(17)3(15)6(18)10(13)22)14-11(23)7(19)4(16)8(20)12(14)24/h1-2H3.
What are the key properties of N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine?
N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine has a molecular weight of 409.16 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine is sourced from PubChem (CID 23233872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).