1-(4-fluorocyclohexa-1,3-dien-1-yl)imidazolidine

C9H13FN2 — CID 142040954

IUPAC1-(4-fluorocyclohexa-1,3-dien-1-yl)imidazolidine
SMILESFC1=CC=C(N2CCNC2)CC1
InChIInChI=1S/C9H13FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1,3,11H,2,4-7H2
InChIKeySZMAOSSYDWNCIA-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.38
Rot. Bonds1

About 1-(4-fluorocyclohexa-1,3-dien-1-yl)imidazolidine

1-(4-fluorocyclohexa-1,3-dien-1-yl)imidazolidine (PubChem CID 142040954) has the molecular formula C9H13FN2 and a molecular weight of 168.22 g/mol. Its IUPAC name is 1-(4-fluorocyclohexa-1,3-dien-1-yl)imidazolidine.

Molecular Properties

Compound Name1-(4-fluorocyclohexa-1,3-dien-1-yl)imidazolidine
PubChem CID142040954
Molecular FormulaC9H13FN2
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name1-(4-fluorocyclohexa-1,3-dien-1-yl)imidazolidine
SMILESFC1=CC=C(N2CCNC2)CC1
InChIInChI=1S/C9H13FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1,3,11H,2,4-7H2
InChIKeySZMAOSSYDWNCIA-UHFFFAOYSA-N
XLogP1.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorocyclohexa-1,3-dien-1-yl)imidazolidine?
The IUPAC name of 1-(4-fluorocyclohexa-1,3-dien-1-yl)imidazolidine (CID 142040954) is 1-(4-fluorocyclohexa-1,3-dien-1-yl)imidazolidine.
What is the SMILES notation for 1-(4-fluorocyclohexa-1,3-dien-1-yl)imidazolidine?
The canonical SMILES for 1-(4-fluorocyclohexa-1,3-dien-1-yl)imidazolidine is FC1=CC=C(N2CCNC2)CC1.
What is the InChIKey of 1-(4-fluorocyclohexa-1,3-dien-1-yl)imidazolidine?
The InChIKey is SZMAOSSYDWNCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1,3,11H,2,4-7H2.
What are the key properties of 1-(4-fluorocyclohexa-1,3-dien-1-yl)imidazolidine?
1-(4-fluorocyclohexa-1,3-dien-1-yl)imidazolidine has a molecular weight of 168.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorocyclohexa-1,3-dien-1-yl)imidazolidine is sourced from PubChem (CID 142040954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).