(1-fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane

C16H22F7P — CID 87882867

IUPAC(1-fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane
SMILESCP(C1(F)C=CC=CC1)C(F)(F)C(F)CCCCCCC(F)(F)F
InChIInChI=1S/C16H22F7P/c1-24(14(18)10-6-4-7-11-14)16(22,23)13(17)9-5-2-3-8-12-15(19,20)21/h4,6-7,10,13H,2-3,5,8-9,11-12H2,1H3
InChIKeyRKSNWXABZBFTIA-UHFFFAOYSA-N
MW378.31 g/mol
LogP7.11
Rot. Bonds9

About (1-fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane

(1-fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane (PubChem CID 87882867) has the molecular formula C16H22F7P and a molecular weight of 378.31 g/mol. Its IUPAC name is (1-fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane.

Molecular Properties

Compound Name(1-fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane
PubChem CID87882867
Molecular FormulaC16H22F7P
Molecular Weight378.31 g/mol
Exact Mass378.13
IUPAC Name(1-fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane
SMILESCP(C1(F)C=CC=CC1)C(F)(F)C(F)CCCCCCC(F)(F)F
InChIInChI=1S/C16H22F7P/c1-24(14(18)10-6-4-7-11-14)16(22,23)13(17)9-5-2-3-8-12-15(19,20)21/h4,6-7,10,13H,2-3,5,8-9,11-12H2,1H3
InChIKeyRKSNWXABZBFTIA-UHFFFAOYSA-N
XLogP7.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.31
LogP ≤ 57.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane?
The IUPAC name of (1-fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane (CID 87882867) is (1-fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane.
What is the SMILES notation for (1-fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane?
The canonical SMILES for (1-fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane is CP(C1(F)C=CC=CC1)C(F)(F)C(F)CCCCCCC(F)(F)F.
What is the InChIKey of (1-fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane?
The InChIKey is RKSNWXABZBFTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F7P/c1-24(14(18)10-6-4-7-11-14)16(22,23)13(17)9-5-2-3-8-12-15(19,20)21/h4,6-7,10,13H,2-3,5,8-9,11-12H2,1H3.
What are the key properties of (1-fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane?
(1-fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane has a molecular weight of 378.31 g/mol, XLogP of 7.11, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluorocyclohexa-2,4-dien-1-yl)-(1,1,2,9,9,9-hexafluorononyl)-methylphosphane is sourced from PubChem (CID 87882867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).