[1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane

C8H13FP2 — CID 143683751

IUPAC[1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane
SMILESCC(P)(P)C1=CC=CCC1F
InChIInChI=1S/C8H13FP2/c1-8(10,11)6-4-2-3-5-7(6)9/h2-4,7H,5,10-11H2,1H3
InChIKeyJPBJMGLJGKOZNJ-UHFFFAOYSA-N
MW190.14 g/mol
LogP2.68
Rot. Bonds1

About [1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane

[1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane (PubChem CID 143683751) has the molecular formula C8H13FP2 and a molecular weight of 190.14 g/mol. Its IUPAC name is [1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane.

Molecular Properties

Compound Name[1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane
PubChem CID143683751
Molecular FormulaC8H13FP2
Molecular Weight190.14 g/mol
Exact Mass190.05
IUPAC Name[1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane
SMILESCC(P)(P)C1=CC=CCC1F
InChIInChI=1S/C8H13FP2/c1-8(10,11)6-4-2-3-5-7(6)9/h2-4,7H,5,10-11H2,1H3
InChIKeyJPBJMGLJGKOZNJ-UHFFFAOYSA-N
XLogP2.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-methylcyclohexa-1,3-dien-1-amine
CID 146924911
[(E)-2-[(6S)-6-fluorocyclohexa-1,3-dien-1-yl]ethenyl]benzene
CID 89327796
2-fluoro-2,3,3a,4-tetrahydroinden-1-one
CID 151740601
3-methyl-7,7a-dihydro-1H-indene
CID 90996575
4-ethoxy-6-[1-fluoro-1-(6-methylcyclohexa-1,3-dien-1-yl)ethyl]pyrimidine
CID 163953667
2-(2,2-dimethylpropyl)-2,3-dihydropyridine
CID 123985988
(6R)-1-methyl-6-propylcyclohexa-1,3-diene
CID 163989420
3-[(E)-2-(6-fluorocyclohexa-1,3-dien-1-yl)ethenyl]-N-methyl-6-thia-4-azatricyclo[5.3.0.02,5]deca-1(7),2(5)-dien-3-amine
CID 155112646
6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
2-methyl-2,3,3a,4-tetrahydroindol-1-ide
CID 19835384
2a,3,7,7a,8,8a-hexahydrocyclobuta[b]naphthalene
CID 173279246
tris(1-propan-2-ylcyclopenta-1,3-diene);terbium
CID 174728130

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane?
The IUPAC name of [1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane (CID 143683751) is [1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane.
What is the SMILES notation for [1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane?
The canonical SMILES for [1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane is CC(P)(P)C1=CC=CCC1F.
What is the InChIKey of [1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane?
The InChIKey is JPBJMGLJGKOZNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FP2/c1-8(10,11)6-4-2-3-5-7(6)9/h2-4,7H,5,10-11H2,1H3.
What are the key properties of [1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane?
[1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane has a molecular weight of 190.14 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluorocyclohexa-1,3-dien-1-yl)-1-phosphanylethyl]phosphane is sourced from PubChem (CID 143683751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).