1-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)pyrazole

C9H5F5N2 — CID 23261566

IUPAC1-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)pyrazole
SMILESFC1=C(F)C(F)C(F)C(F)=C1n1cccn1
InChIInChI=1S/C9H5F5N2/c10-4-5(11)7(13)9(8(14)6(4)12)16-3-1-2-15-16/h1-5H
InChIKeyBKWRVXRLQRXUQB-UHFFFAOYSA-N
MW236.14 g/mol
LogP2.86
Rot. Bonds1

About 1-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)pyrazole

1-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)pyrazole (PubChem CID 23261566) has the molecular formula C9H5F5N2 and a molecular weight of 236.14 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)pyrazole.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)pyrazole
PubChem CID23261566
Molecular FormulaC9H5F5N2
Molecular Weight236.14 g/mol
Exact Mass236.04
IUPAC Name1-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)pyrazole
SMILESFC1=C(F)C(F)C(F)C(F)=C1n1cccn1
InChIInChI=1S/C9H5F5N2/c10-4-5(11)7(13)9(8(14)6(4)12)16-3-1-2-15-16/h1-5H
InChIKeyBKWRVXRLQRXUQB-UHFFFAOYSA-N
XLogP2.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole
CID 134963629
1-[1,1,1,4,4,5,5,5-Octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrazole
CID 15321651
Iridium;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 21044134
Platinum;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 21044135
1-(2,4-Difluorobenzene-6-id-1-yl)pyrazole
CID 59360766
1-[[5-Fluoro-2-(trifluoromethyl)benzene-6-id-1-yl]methyl]pyrazole;iridium
CID 59757587
Iridium;1-[[4-(trifluoromethyl)benzene-6-id-1-yl]methyl]pyrazole
CID 59757592
1-(1,1,3,3,3-Pentafluoropropyl)pyrazole
CID 68809292
6-Fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile
CID 69480663
1-(3,5-Difluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
CID 70214179
1-(2-Fluorocyclohexa-1,5-dien-1-yl)pyrazol-3-amine
CID 70216304
1-(1,1,2,3,3,3-Hexafluoropropyl)pyrazole
CID 87421777

Frequently Asked Questions

What is the IUPAC name of 1-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)pyrazole?
The IUPAC name of 1-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)pyrazole (CID 23261566) is 1-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)pyrazole.
What is the SMILES notation for 1-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)pyrazole?
The canonical SMILES for 1-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)pyrazole is FC1=C(F)C(F)C(F)C(F)=C1n1cccn1.
What is the InChIKey of 1-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)pyrazole?
The InChIKey is BKWRVXRLQRXUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5N2/c10-4-5(11)7(13)9(8(14)6(4)12)16-3-1-2-15-16/h1-5H.
What are the key properties of 1-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)pyrazole?
1-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)pyrazole has a molecular weight of 236.14 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentafluorocyclohexa-1,5-dien-1-yl)pyrazole is sourced from PubChem (CID 23261566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).