1-(1,5-difluorocyclohexa-2,4-dien-1-yl)pyrrole

C10H9F2N — CID 87697130

IUPAC1-(1,5-difluorocyclohexa-2,4-dien-1-yl)pyrrole
SMILESFC1=CC=CC(F)(n2cccc2)C1
InChIInChI=1S/C10H9F2N/c11-9-4-3-5-10(12,8-9)13-6-1-2-7-13/h1-7H,8H2
InChIKeyZZFKQERNFIUQKE-UHFFFAOYSA-N
MW181.19 g/mol
LogP2.92
Rot. Bonds1

About 1-(1,5-difluorocyclohexa-2,4-dien-1-yl)pyrrole

1-(1,5-difluorocyclohexa-2,4-dien-1-yl)pyrrole (PubChem CID 87697130) has the molecular formula C10H9F2N and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-(1,5-difluorocyclohexa-2,4-dien-1-yl)pyrrole.

Molecular Properties

Compound Name1-(1,5-difluorocyclohexa-2,4-dien-1-yl)pyrrole
PubChem CID87697130
Molecular FormulaC10H9F2N
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name1-(1,5-difluorocyclohexa-2,4-dien-1-yl)pyrrole
SMILESFC1=CC=CC(F)(n2cccc2)C1
InChIInChI=1S/C10H9F2N/c11-9-4-3-5-10(12,8-9)13-6-1-2-7-13/h1-7H,8H2
InChIKeyZZFKQERNFIUQKE-UHFFFAOYSA-N
XLogP2.92
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-difluorocyclohexa-2,4-dien-1-yl)pyrrole?
The IUPAC name of 1-(1,5-difluorocyclohexa-2,4-dien-1-yl)pyrrole (CID 87697130) is 1-(1,5-difluorocyclohexa-2,4-dien-1-yl)pyrrole.
What is the SMILES notation for 1-(1,5-difluorocyclohexa-2,4-dien-1-yl)pyrrole?
The canonical SMILES for 1-(1,5-difluorocyclohexa-2,4-dien-1-yl)pyrrole is FC1=CC=CC(F)(n2cccc2)C1.
What is the InChIKey of 1-(1,5-difluorocyclohexa-2,4-dien-1-yl)pyrrole?
The InChIKey is ZZFKQERNFIUQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N/c11-9-4-3-5-10(12,8-9)13-6-1-2-7-13/h1-7H,8H2.
What are the key properties of 1-(1,5-difluorocyclohexa-2,4-dien-1-yl)pyrrole?
1-(1,5-difluorocyclohexa-2,4-dien-1-yl)pyrrole has a molecular weight of 181.19 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-difluorocyclohexa-2,4-dien-1-yl)pyrrole is sourced from PubChem (CID 87697130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).