1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole

C11H8F2N2 — CID 134963629

IUPAC1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole
SMILESFC(F)=c1cccc/c1=C/n1cccn1
InChIInChI=1S/C11H8F2N2/c12-11(13)10-5-2-1-4-9(10)8-15-7-3-6-14-15/h1-8H/b9-8-
InChIKeyNBXFRNRFSKEJEQ-HJWRWDBZSA-N
MW206.20 g/mol
LogP1.17
Rot. Bonds1

About 1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole

1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole (PubChem CID 134963629) has the molecular formula C11H8F2N2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole.

Molecular Properties

Compound Name1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole
PubChem CID134963629
Molecular FormulaC11H8F2N2
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole
SMILESFC(F)=c1cccc/c1=C/n1cccn1
InChIInChI=1S/C11H8F2N2/c12-11(13)10-5-2-1-4-9(10)8-15-7-3-6-14-15/h1-8H/b9-8-
InChIKeyNBXFRNRFSKEJEQ-HJWRWDBZSA-N
XLogP1.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(difluoromethyl)-1H-pyrazole
CID 5253348
1-(4,4-Difluoro-3-methylbut-3-enyl)pyrazole
CID 155933446
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
5-Bromo-1-[(2,6-difluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole
CID 69058608
6-Fluoro-6-pyrazol-1-ylcyclohexa-2,4-diene-1-carbonitrile
CID 69480663
1-(2-Ethenyl-3-fluoro-4-methylidenehex-2-enyl)-3-thionitrosopyrazole
CID 90753693
1-[(4-Fluorocyclohexa-2,4-dien-1-yl)methyl]pyrazole
CID 117681936

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole?
The IUPAC name of 1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole (CID 134963629) is 1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole.
What is the SMILES notation for 1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole?
The canonical SMILES for 1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole is FC(F)=c1cccc/c1=C/n1cccn1.
What is the InChIKey of 1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole?
The InChIKey is NBXFRNRFSKEJEQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H8F2N2/c12-11(13)10-5-2-1-4-9(10)8-15-7-3-6-14-15/h1-8H/b9-8-.
What are the key properties of 1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole?
1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole has a molecular weight of 206.20 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-[6-(difluoromethylidene)cyclohexa-2,4-dien-1-ylidene]methyl]pyrazole is sourced from PubChem (CID 134963629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).