1-(2,4-difluorophenyl)-2-methylpyrazolidine

C10H12F2N2 — CID 59602822

IUPAC1-(2,4-difluorophenyl)-2-methylpyrazolidine
SMILESCN1CCCN1c1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2/c1-13-5-2-6-14(13)10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6H2,1H3
InChIKeyXPKNPRZUSTXOOY-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.02
Rot. Bonds1

About 1-(2,4-difluorophenyl)-2-methylpyrazolidine

1-(2,4-difluorophenyl)-2-methylpyrazolidine (PubChem CID 59602822) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-methylpyrazolidine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-methylpyrazolidine
PubChem CID59602822
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-(2,4-difluorophenyl)-2-methylpyrazolidine
SMILESCN1CCCN1c1ccc(F)cc1F
InChIInChI=1S/C10H12F2N2/c1-13-5-2-6-14(13)10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6H2,1H3
InChIKeyXPKNPRZUSTXOOY-UHFFFAOYSA-N
XLogP2.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-methylpyrazolidine?
The IUPAC name of 1-(2,4-difluorophenyl)-2-methylpyrazolidine (CID 59602822) is 1-(2,4-difluorophenyl)-2-methylpyrazolidine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-methylpyrazolidine?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-methylpyrazolidine is CN1CCCN1c1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-methylpyrazolidine?
The InChIKey is XPKNPRZUSTXOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c1-13-5-2-6-14(13)10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-methylpyrazolidine?
1-(2,4-difluorophenyl)-2-methylpyrazolidine has a molecular weight of 198.22 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-methylpyrazolidine is sourced from PubChem (CID 59602822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).