1-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine

C10H14FN — CID 18671213

IUPAC1-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine
SMILESFC1=CCCC=C1N1CCCC1
InChIInChI=1S/C10H14FN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h5-6H,1-4,7-8H2
InChIKeyDEJVPAGYERRSBA-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.61
Rot. Bonds1

About 1-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine

1-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine (PubChem CID 18671213) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine
PubChem CID18671213
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name1-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine
SMILESFC1=CCCC=C1N1CCCC1
InChIInChI=1S/C10H14FN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h5-6H,1-4,7-8H2
InChIKeyDEJVPAGYERRSBA-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine?
The IUPAC name of 1-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine (CID 18671213) is 1-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine.
What is the SMILES notation for 1-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine?
The canonical SMILES for 1-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine is FC1=CCCC=C1N1CCCC1.
What is the InChIKey of 1-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine?
The InChIKey is DEJVPAGYERRSBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h5-6H,1-4,7-8H2.
What are the key properties of 1-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine?
1-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine has a molecular weight of 167.23 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluorocyclohexa-1,5-dien-1-yl)pyrrolidine is sourced from PubChem (CID 18671213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).