(2,3,5,6-tetrafluoro-4-propylphenyl)phosphane

C9H9F4P — CID 166866100

IUPAC(2,3,5,6-tetrafluoro-4-propylphenyl)phosphane
SMILESCCCc1c(F)c(F)c(P)c(F)c1F
InChIInChI=1S/C9H9F4P/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h2-3,14H2,1H3
InChIKeyAQOWUGOBFWGOLN-UHFFFAOYSA-N
MW224.14 g/mol
LogP2.70
Rot. Bonds2

About (2,3,5,6-tetrafluoro-4-propylphenyl)phosphane

(2,3,5,6-tetrafluoro-4-propylphenyl)phosphane (PubChem CID 166866100) has the molecular formula C9H9F4P and a molecular weight of 224.14 g/mol. Its IUPAC name is (2,3,5,6-tetrafluoro-4-propylphenyl)phosphane.

Molecular Properties

Compound Name(2,3,5,6-tetrafluoro-4-propylphenyl)phosphane
PubChem CID166866100
Molecular FormulaC9H9F4P
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Name(2,3,5,6-tetrafluoro-4-propylphenyl)phosphane
SMILESCCCc1c(F)c(F)c(P)c(F)c1F
InChIInChI=1S/C9H9F4P/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h2-3,14H2,1H3
InChIKeyAQOWUGOBFWGOLN-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-(2,3,5,6-tetrafluoro-4-propylphenyl)ethanone
CID 165347604
1-ethenyl-2,3,5,6-tetrafluoro-4-propylbenzene
CID 168782513
1,2,4,5-tetrafluoro-3-propylbenzene
CID 12944004
1,2,3,5-tetrafluoro-4-propylbenzene
CID 88575988
argon;1,2,3,4,5-pentafluoro-6-pentylbenzene;hydrofluoride
CID 158257031
1-chloro-2,4,5-trifluoro-3-propylbenzene
CID 144809171
(4-butyl-2,3,5,6-tetrafluorophenyl)methanamine
CID 19433019
(2,3,5,6-tetrafluoro-4-pentylphenyl)methanamine
CID 19433002
1-butyl-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 14092719
butane;(2,3,4,5,6-pentafluorophenyl)methanamine
CID 175415233
N,N-dimethyl-2-(2,3,4,5,6-pentafluorophenyl)ethanamine
CID 101404764
1,5-dicyclohexyl-2,3,4-trifluoro-6-propylbenzene
CID 175693935

Frequently Asked Questions

What is the IUPAC name of (2,3,5,6-tetrafluoro-4-propylphenyl)phosphane?
The IUPAC name of (2,3,5,6-tetrafluoro-4-propylphenyl)phosphane (CID 166866100) is (2,3,5,6-tetrafluoro-4-propylphenyl)phosphane.
What is the SMILES notation for (2,3,5,6-tetrafluoro-4-propylphenyl)phosphane?
The canonical SMILES for (2,3,5,6-tetrafluoro-4-propylphenyl)phosphane is CCCc1c(F)c(F)c(P)c(F)c1F.
What is the InChIKey of (2,3,5,6-tetrafluoro-4-propylphenyl)phosphane?
The InChIKey is AQOWUGOBFWGOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4P/c1-2-3-4-5(10)7(12)9(14)8(13)6(4)11/h2-3,14H2,1H3.
What are the key properties of (2,3,5,6-tetrafluoro-4-propylphenyl)phosphane?
(2,3,5,6-tetrafluoro-4-propylphenyl)phosphane has a molecular weight of 224.14 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,5,6-tetrafluoro-4-propylphenyl)phosphane is sourced from PubChem (CID 166866100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).