3,5-bis(4-chlorophenyl)-4,4-difluoropyrazole

C15H8Cl2F2N2 — CID 122232619

IUPAC3,5-bis(4-chlorophenyl)-4,4-difluoropyrazole
SMILESFC1(F)C(c2ccc(Cl)cc2)=NN=C1c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl2F2N2/c16-11-5-1-9(2-6-11)13-15(18,19)14(21-20-13)10-3-7-12(17)8-4-10/h1-8H
InChIKeyJFHYUWOZFATBKQ-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.84
Rot. Bonds2

About 3,5-bis(4-chlorophenyl)-4,4-difluoropyrazole

3,5-bis(4-chlorophenyl)-4,4-difluoropyrazole (PubChem CID 122232619) has the molecular formula C15H8Cl2F2N2 and a molecular weight of 325.15 g/mol. Its IUPAC name is 3,5-bis(4-chlorophenyl)-4,4-difluoropyrazole.

Molecular Properties

Compound Name3,5-bis(4-chlorophenyl)-4,4-difluoropyrazole
PubChem CID122232619
Molecular FormulaC15H8Cl2F2N2
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name3,5-bis(4-chlorophenyl)-4,4-difluoropyrazole
SMILESFC1(F)C(c2ccc(Cl)cc2)=NN=C1c1ccc(Cl)cc1
InChIInChI=1S/C15H8Cl2F2N2/c16-11-5-1-9(2-6-11)13-15(18,19)14(21-20-13)10-3-7-12(17)8-4-10/h1-8H
InChIKeyJFHYUWOZFATBKQ-UHFFFAOYSA-N
XLogP4.84
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-4-(4-chlorophenyl)benzene;ruthenium
CID 159976594
2-(bromomethyl)-5-(4-chlorophenyl)-4,4-difluoro-2,3-dihydropyrrole
CID 25215390
3,6-bis(4-chlorophenyl)pyridazine
CID 11197367
azane;1,4-dichlorobenzene
CID 69330361
1-bromo-4-[4-(4-chlorophenyl)phenyl]benzene
CID 151204294
tris(4-chlorophenyl)-tris(4-chlorophenyl)stannyloxystannane
CID 16683417
tetrakis(4-chlorophenyl)stannane
CID 4307055
4,6-dichloro-2-(4-chlorophenyl)pyrimidine
CID 22353517
2,5-bis(4-chlorophenyl)pyrimidine
CID 174829334
2-(4-chlorophenyl)-3-fluoropyridine
CID 66678603
2-bromo-4,5-bis(4-chlorophenyl)-1,3-thiazole
CID 21409105
2,5-bis(4-chlorophenyl)thiophene
CID 3588046

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(4-chlorophenyl)-4,4-difluoropyrazole?
The IUPAC name of 3,5-bis(4-chlorophenyl)-4,4-difluoropyrazole (CID 122232619) is 3,5-bis(4-chlorophenyl)-4,4-difluoropyrazole.
What is the SMILES notation for 3,5-bis(4-chlorophenyl)-4,4-difluoropyrazole?
The canonical SMILES for 3,5-bis(4-chlorophenyl)-4,4-difluoropyrazole is FC1(F)C(c2ccc(Cl)cc2)=NN=C1c1ccc(Cl)cc1.
What is the InChIKey of 3,5-bis(4-chlorophenyl)-4,4-difluoropyrazole?
The InChIKey is JFHYUWOZFATBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2F2N2/c16-11-5-1-9(2-6-11)13-15(18,19)14(21-20-13)10-3-7-12(17)8-4-10/h1-8H.
What are the key properties of 3,5-bis(4-chlorophenyl)-4,4-difluoropyrazole?
3,5-bis(4-chlorophenyl)-4,4-difluoropyrazole has a molecular weight of 325.15 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(4-chlorophenyl)-4,4-difluoropyrazole is sourced from PubChem (CID 122232619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).