4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole

C11H11FN2 — CID 145324643

IUPAC4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole
SMILESFC1=C(\c2cn[nH]c2)CC/C=C/C=C\1
InChIInChI=1S/C11H11FN2/c12-11-6-4-2-1-3-5-10(11)9-7-13-14-8-9/h1-2,4,6-8H,3,5H2,(H,13,14)/b2-1-,6-4-,11-10-
InChIKeyYFRDPUCKFDREOF-DBRWCQASSA-N
MW190.22 g/mol
LogP3.00
Rot. Bonds1

About 4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole

4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole (PubChem CID 145324643) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is 4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole.

Molecular Properties

Compound Name4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole
PubChem CID145324643
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole
SMILESFC1=C(\c2cn[nH]c2)CC/C=C/C=C\1
InChIInChI=1S/C11H11FN2/c12-11-6-4-2-1-3-5-10(11)9-7-13-14-8-9/h1-2,4,6-8H,3,5H2,(H,13,14)/b2-1-,6-4-,11-10-
InChIKeyYFRDPUCKFDREOF-DBRWCQASSA-N
XLogP3.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-[(2-fluorophenyl)methyl]-1H-pyrazole
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5-[(3E)-5-fluorohexa-1,3,5-trien-3-yl]-4-methyl-1H-pyrazole
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CID 123371916
4-[(4-fluorophenyl)methyl]-1H-pyrazole
CID 141207823
4-[2-(4-fluorophenyl)ethyl]-1H-pyrazole
CID 141207827
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CID 146648712
4-[(3-fluorophenyl)methyl]-1H-pyrazole
CID 155794568
5-[(2Z)-3-(2-fluoropropan-2-yl)penta-2,4-dien-2-yl]-4-methyl-1H-pyrazole
CID 156099565
4-[1-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]propyl]-1H-pyrazole
CID 166701389
4-[(3S)-3,6-difluoro-4-methylcyclohexa-1,5-dien-1-yl]-1H-pyrazole
CID 170114876

Frequently Asked Questions

What is the IUPAC name of 4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole?
The IUPAC name of 4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole (CID 145324643) is 4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole.
What is the SMILES notation for 4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole?
The canonical SMILES for 4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole is FC1=C(\c2cn[nH]c2)CC/C=C/C=C\1.
What is the InChIKey of 4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole?
The InChIKey is YFRDPUCKFDREOF-DBRWCQASSA-N. The full InChI is InChI=1S/C11H11FN2/c12-11-6-4-2-1-3-5-10(11)9-7-13-14-8-9/h1-2,4,6-8H,3,5H2,(H,13,14)/b2-1-,6-4-,11-10-.
What are the key properties of 4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole?
4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole has a molecular weight of 190.22 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z,3Z,5Z)-2-fluorocycloocta-1,3,5-trien-1-yl]-1H-pyrazole is sourced from PubChem (CID 145324643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).