1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane

C11H16F5N — CID 134384160

IUPAC1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane
SMILESC=CC(F)(F)C(F)C(F)(F)N1CCCCCC1
InChIInChI=1S/C11H16F5N/c1-2-10(13,14)9(12)11(15,16)17-7-5-3-4-6-8-17/h2,9H,1,3-8H2
InChIKeyYNOBUVWCLLSMAJ-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.61
Rot. Bonds4

About 1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane

1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane (PubChem CID 134384160) has the molecular formula C11H16F5N and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane.

Molecular Properties

Compound Name1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane
PubChem CID134384160
Molecular FormulaC11H16F5N
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane
SMILESC=CC(F)(F)C(F)C(F)(F)N1CCCCCC1
InChIInChI=1S/C11H16F5N/c1-2-10(13,14)9(12)11(15,16)17-7-5-3-4-6-8-17/h2,9H,1,3-8H2
InChIKeyYNOBUVWCLLSMAJ-UHFFFAOYSA-N
XLogP3.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-[(Z)-1,1,2,3,3-pentafluorohex-4-enyl]piperidine
CID 134384147
1-(1,1,2,3,3-pentafluorohex-5-enyl)pyrrolidine
CID 162607539
1,1-di(piperidin-1-yl)prop-2-enylsilane
CID 173096266
1,1-dipyrrolidin-1-ylprop-2-enylsilane
CID 173096258
1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine
CID 140998804
1-[3-(dichloromethoxy)-1,1,2,2,3,3-hexafluoropropyl]piperidine
CID 20579833
1-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrrolidine
CID 54109001
1-(3,3,3-trifluoroprop-1-enyl)piperidine
CID 73003830
CID 178155883
CID 178155883
2,2-difluoro-2-piperidin-1-ylacetyl fluoride
CID 71775720
1-(azepan-1-yl)-1,2,2-trifluoro-3-(2,2,3,4,4,4-hexafluorobutoxy)propan-1-amine
CID 130418452
1-[1,2-difluoro-2-(trifluoromethyl)but-3-enyl]-2-fluoro-2-(trifluoromethyl)piperidine
CID 162620220

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane?
The IUPAC name of 1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane (CID 134384160) is 1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane.
What is the SMILES notation for 1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane?
The canonical SMILES for 1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane is C=CC(F)(F)C(F)C(F)(F)N1CCCCCC1.
What is the InChIKey of 1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane?
The InChIKey is YNOBUVWCLLSMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F5N/c1-2-10(13,14)9(12)11(15,16)17-7-5-3-4-6-8-17/h2,9H,1,3-8H2.
What are the key properties of 1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane?
1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane has a molecular weight of 257.25 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,3,3-pentafluoropent-4-enyl)azepane is sourced from PubChem (CID 134384160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).