1-(4,4-difluorocyclohexyl)pyrazole

C9H12F2N2 — CID 84732782

IUPAC1-(4,4-difluorocyclohexyl)pyrazole
SMILESFC1(F)CCC(n2cccn2)CC1
InChIInChI=1S/C9H12F2N2/c10-9(11)4-2-8(3-5-9)13-7-1-6-12-13/h1,6-8H,2-5H2
InChIKeyRWOJNVXBHFHBJY-UHFFFAOYSA-N
MW186.21 g/mol
LogP2.63
Rot. Bonds1

About 1-(4,4-difluorocyclohexyl)pyrazole

1-(4,4-difluorocyclohexyl)pyrazole (PubChem CID 84732782) has the molecular formula C9H12F2N2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)pyrazole.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)pyrazole
PubChem CID84732782
Molecular FormulaC9H12F2N2
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name1-(4,4-difluorocyclohexyl)pyrazole
SMILESFC1(F)CCC(n2cccn2)CC1
InChIInChI=1S/C9H12F2N2/c10-9(11)4-2-8(3-5-9)13-7-1-6-12-13/h1,6-8H,2-5H2
InChIKeyRWOJNVXBHFHBJY-UHFFFAOYSA-N
XLogP2.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)pyrazole?
The IUPAC name of 1-(4,4-difluorocyclohexyl)pyrazole (CID 84732782) is 1-(4,4-difluorocyclohexyl)pyrazole.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)pyrazole?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)pyrazole is FC1(F)CCC(n2cccn2)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)pyrazole?
The InChIKey is RWOJNVXBHFHBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c10-9(11)4-2-8(3-5-9)13-7-1-6-12-13/h1,6-8H,2-5H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)pyrazole?
1-(4,4-difluorocyclohexyl)pyrazole has a molecular weight of 186.21 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)pyrazole is sourced from PubChem (CID 84732782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).