ethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane

C12H15F4P — CID 22637607

IUPACethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane
SMILESCCCP(CC)c1c(F)c(C)c(F)c(F)c1F
InChIInChI=1S/C12H15F4P/c1-4-6-17(5-2)12-9(14)7(3)8(13)10(15)11(12)16/h4-6H2,1-3H3
InChIKeyPDOQHVOCWZXQEM-UHFFFAOYSA-N
MW266.22 g/mol
LogP4.09
Rot. Bonds4

About ethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane

ethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane (PubChem CID 22637607) has the molecular formula C12H15F4P and a molecular weight of 266.22 g/mol. Its IUPAC name is ethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane.

Molecular Properties

Compound Nameethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane
PubChem CID22637607
Molecular FormulaC12H15F4P
Molecular Weight266.22 g/mol
Exact Mass266.08
IUPAC Nameethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane
SMILESCCCP(CC)c1c(F)c(C)c(F)c(F)c1F
InChIInChI=1S/C12H15F4P/c1-4-6-17(5-2)12-9(14)7(3)8(13)10(15)11(12)16/h4-6H2,1-3H3
InChIKeyPDOQHVOCWZXQEM-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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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Related Compounds

butyl-methyl-(2,3,4,5,6-pentafluorophenyl)phosphane
CID 22637866
1,2,4,5-tetrafluoro-3,6-dimethylbenzene
CID 160870042
1,2,3,4,5,6,8-heptafluoro-7-methylnaphthalene
CID 3905536
2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline
CID 22637585
CID 91484567
CID 91484567
ethane;formaldehyde;1,2,3,4,5-pentafluoro-6-methylbenzene
CID 142404647
tris(propan-1-ol);(2,3,5,6-tetrafluoro-4-methylphenyl)methanol;zirconium
CID 87558789
bis(2-methylpentan-2-yl)-(2,3,4,5,6-pentafluorophenyl)phosphane
CID 22925407
boric acid;tetrakis(1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene);tris(2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline)
CID 173225240
[(2S,3S)-3-bis(2,3,4,5,6-pentafluorophenyl)phosphanylbutan-2-yl]-bis(2,3,4,5,6-pentafluorophenyl)phosphane
CID 57239596
trimethyl-(2,3,5,6-tetrafluoro-4-methylphenyl)silane
CID 22162782
N-bis(2,3,4,5,6-pentafluorophenyl)phosphanyl-N-methylmethanamine
CID 23233872

Frequently Asked Questions

What is the IUPAC name of ethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane?
The IUPAC name of ethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane (CID 22637607) is ethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane.
What is the SMILES notation for ethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane?
The canonical SMILES for ethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane is CCCP(CC)c1c(F)c(C)c(F)c(F)c1F.
What is the InChIKey of ethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane?
The InChIKey is PDOQHVOCWZXQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4P/c1-4-6-17(5-2)12-9(14)7(3)8(13)10(15)11(12)16/h4-6H2,1-3H3.
What are the key properties of ethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane?
ethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane has a molecular weight of 266.22 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-propyl-(2,3,4,6-tetrafluoro-5-methylphenyl)phosphane is sourced from PubChem (CID 22637607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).