[2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane

C9H4F10NP — CID 151367997

IUPAC[2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane
SMILESFC(F)(F)C(F)(F)c1cc(P)cc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H4F10NP/c10-6(11,8(14,15)16)4-1-3(21)2-5(20-4)7(12,13)9(17,18)19/h1-2H,21H2
InChIKeyOPVJFMFIHIWGQJ-UHFFFAOYSA-N
MW347.09 g/mol
LogP3.89
Rot. Bonds2

About [2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane

[2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane (PubChem CID 151367997) has the molecular formula C9H4F10NP and a molecular weight of 347.09 g/mol. Its IUPAC name is [2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane.

Molecular Properties

Compound Name[2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane
PubChem CID151367997
Molecular FormulaC9H4F10NP
Molecular Weight347.09 g/mol
Exact Mass346.99
IUPAC Name[2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane
SMILESFC(F)(F)C(F)(F)c1cc(P)cc(C(F)(F)C(F)(F)F)n1
InChIInChI=1S/C9H4F10NP/c10-6(11,8(14,15)16)4-1-3(21)2-5(20-4)7(12,13)9(17,18)19/h1-2H,21H2
InChIKeyOPVJFMFIHIWGQJ-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.09
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane with MolForge

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

Launch Full Analysis

Related Compounds

5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole
CID 91600534
6-(1,1,2,2,2-pentafluoroethyl)pyrazine-2-carbonitrile
CID 75530352
2,4-bis(1,1,2,2,2-pentafluoroethyl)pyrimidine
CID 91802215
N,N-dimethyl-4-[4-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)pyrimidin-2-yl]aniline
CID 15526289
2,4,6-tris(trifluoromethyl)pyridine
CID 14937918
2-chloro-5-(1,1,2,2,2-pentafluoroethyl)pyrazine
CID 75406253
2-tert-butyl-7-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[1,5-c]pyrimidine
CID 176739067
4-[4-[2,6-bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine
CID 132551111
[amino-[2-cyclopropyl-6-(1,1,2,2,2-pentafluoroethyl)pyrimidin-4-yl]methylidene]carbamoyloxidanium
CID 163567969
4-(1,1,2,2,2-pentafluoroethyl)imidazole-1,2-dicarbonitrile
CID 135285320
[4-(1,1,2,2,2-pentafluoroethyl)-6-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 75530384
4-chloro-5-nitro-2-(1,1,2,2,2-pentafluoroethyl)pyridine
CID 86811579

Frequently Asked Questions

What is the IUPAC name of [2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane?
The IUPAC name of [2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane (CID 151367997) is [2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane.
What is the SMILES notation for [2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane?
The canonical SMILES for [2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane is FC(F)(F)C(F)(F)c1cc(P)cc(C(F)(F)C(F)(F)F)n1.
What is the InChIKey of [2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane?
The InChIKey is OPVJFMFIHIWGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F10NP/c10-6(11,8(14,15)16)4-1-3(21)2-5(20-4)7(12,13)9(17,18)19/h1-2H,21H2.
What are the key properties of [2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane?
[2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane has a molecular weight of 347.09 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-bis(1,1,2,2,2-pentafluoroethyl)-4-pyridinyl]phosphane is sourced from PubChem (CID 151367997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).