[difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane

C7H7F3NP — CID 170234409

IUPAC[difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane
SMILESCc1ncc(C(F)(F)P)cc1F
InChIInChI=1S/C7H7F3NP/c1-4-6(8)2-5(3-11-4)7(9,10)12/h2-3H,12H2,1H3
InChIKeyFYVAQNBQHBZGPU-UHFFFAOYSA-N
MW193.11 g/mol
LogP2.45
Rot. Bonds1

About [difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane

[difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane (PubChem CID 170234409) has the molecular formula C7H7F3NP and a molecular weight of 193.11 g/mol. Its IUPAC name is [difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane.

Molecular Properties

Compound Name[difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane
PubChem CID170234409
Molecular FormulaC7H7F3NP
Molecular Weight193.11 g/mol
Exact Mass193.03
IUPAC Name[difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane
SMILESCc1ncc(C(F)(F)P)cc1F
InChIInChI=1S/C7H7F3NP/c1-4-6(8)2-5(3-11-4)7(9,10)12/h2-3H,12H2,1H3
InChIKeyFYVAQNBQHBZGPU-UHFFFAOYSA-N
XLogP2.45
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.11
LogP ≤ 52.45
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

3-iodo-2-methyl-5-(trifluoromethyl)pyridine
CID 84715472
3-fluoro-5-(iodomethyl)-2-methylpyridine
CID 171544442
3-ethenyl-2-methyl-5-(trifluoromethyl)pyridine
CID 154542666
(NE)-N-[(5-fluoro-6-methyl-3-pyridinyl)methylidene]hydroxylamine
CID 134588478
2-chloro-5-[2-fluoro-4-(trifluoromethyl)phenyl]-4-methylpyrimidine
CID 170925615
5-cyclopentyl-3-fluoro-2-methylpyridine;ethane
CID 170761559
3-fluoro-2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 59535310
lithium;acetic acid;5-fluoro-6-methylpyridin-3-olate
CID 175366857
3-fluoro-2-(2,3,4,5,6-pentachlorophenyl)-5-(trifluoromethyl)pyridine
CID 133090076
1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-N-methylmethanamine
CID 118667304
3,5-difluoro-2-methylpyridine;ethane;2-methylpyrazine
CID 144656254
CID 170746470
CID 170746470

Frequently Asked Questions

What is the IUPAC name of [difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane?
The IUPAC name of [difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane (CID 170234409) is [difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane.
What is the SMILES notation for [difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane?
The canonical SMILES for [difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane is Cc1ncc(C(F)(F)P)cc1F.
What is the InChIKey of [difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane?
The InChIKey is FYVAQNBQHBZGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3NP/c1-4-6(8)2-5(3-11-4)7(9,10)12/h2-3H,12H2,1H3.
What are the key properties of [difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane?
[difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane has a molecular weight of 193.11 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro-(5-fluoro-6-methyl-3-pyridinyl)methyl]phosphane is sourced from PubChem (CID 170234409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).