[2,6-bis(trifluoromethyl)-3-pyridinyl]-[1-[[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphanyl]ethyl]phosphane

C16H10F12N2P2 — CID 140625086

IUPAC[2,6-bis(trifluoromethyl)-3-pyridinyl]-[1-[[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphanyl]ethyl]phosphane
SMILESCC(Pc1ccc(C(F)(F)F)nc1C(F)(F)F)Pc1ccc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C16H10F12N2P2/c1-6(31-7-2-4-9(13(17,18)19)29-11(7)15(23,24)25)32-8-3-5-10(14(20,21)22)30-12(8)16(26,27)28/h2-6,31-32H,1H3
InChIKeyKTHPBZGUCCDUKV-UHFFFAOYSA-N
MW520.19 g/mol
LogP6.21
Rot. Bonds4

About [2,6-bis(trifluoromethyl)-3-pyridinyl]-[1-[[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphanyl]ethyl]phosphane

[2,6-bis(trifluoromethyl)-3-pyridinyl]-[1-[[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphanyl]ethyl]phosphane (PubChem CID 140625086) has the molecular formula C16H10F12N2P2 and a molecular weight of 520.19 g/mol. Its IUPAC name is [2,6-bis(trifluoromethyl)-3-pyridinyl]-[1-[[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphanyl]ethyl]phosphane.

Molecular Properties

Compound Name[2,6-bis(trifluoromethyl)-3-pyridinyl]-[1-[[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphanyl]ethyl]phosphane
PubChem CID140625086
Molecular FormulaC16H10F12N2P2
Molecular Weight520.19 g/mol
Exact Mass520.01
IUPAC Name[2,6-bis(trifluoromethyl)-3-pyridinyl]-[1-[[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphanyl]ethyl]phosphane
SMILESCC(Pc1ccc(C(F)(F)F)nc1C(F)(F)F)Pc1ccc(C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C16H10F12N2P2/c1-6(31-7-2-4-9(13(17,18)19)29-11(7)15(23,24)25)32-8-3-5-10(14(20,21)22)30-12(8)16(26,27)28/h2-6,31-32H,1H3
InChIKeyKTHPBZGUCCDUKV-UHFFFAOYSA-N
XLogP6.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.19
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,6-bis(trifluoromethyl)-3-pyridinyl]-[1-[[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphanyl]ethyl]phosphane?
The IUPAC name of [2,6-bis(trifluoromethyl)-3-pyridinyl]-[1-[[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphanyl]ethyl]phosphane (CID 140625086) is [2,6-bis(trifluoromethyl)-3-pyridinyl]-[1-[[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphanyl]ethyl]phosphane.
What is the SMILES notation for [2,6-bis(trifluoromethyl)-3-pyridinyl]-[1-[[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphanyl]ethyl]phosphane?
The canonical SMILES for [2,6-bis(trifluoromethyl)-3-pyridinyl]-[1-[[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphanyl]ethyl]phosphane is CC(Pc1ccc(C(F)(F)F)nc1C(F)(F)F)Pc1ccc(C(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of [2,6-bis(trifluoromethyl)-3-pyridinyl]-[1-[[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphanyl]ethyl]phosphane?
The InChIKey is KTHPBZGUCCDUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F12N2P2/c1-6(31-7-2-4-9(13(17,18)19)29-11(7)15(23,24)25)32-8-3-5-10(14(20,21)22)30-12(8)16(26,27)28/h2-6,31-32H,1H3.
What are the key properties of [2,6-bis(trifluoromethyl)-3-pyridinyl]-[1-[[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphanyl]ethyl]phosphane?
[2,6-bis(trifluoromethyl)-3-pyridinyl]-[1-[[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphanyl]ethyl]phosphane has a molecular weight of 520.19 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(trifluoromethyl)-3-pyridinyl]-[1-[[2,6-bis(trifluoromethyl)-3-pyridinyl]phosphanyl]ethyl]phosphane is sourced from PubChem (CID 140625086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).