4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline

C10H10F4N2 — CID 146019182

IUPAC4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline
SMILESNc1cc(F)c(N2CCC(F)(F)C2)c(F)c1
InChIInChI=1S/C10H10F4N2/c11-7-3-6(15)4-8(12)9(7)16-2-1-10(13,14)5-16/h3-4H,1-2,5,15H2
InChIKeyRLOJBHZPRIAOOD-UHFFFAOYSA-N
MW234.20 g/mol
LogP2.39
Rot. Bonds1

About 4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline

4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline (PubChem CID 146019182) has the molecular formula C10H10F4N2 and a molecular weight of 234.20 g/mol. Its IUPAC name is 4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline.

Molecular Properties

Compound Name4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline
PubChem CID146019182
Molecular FormulaC10H10F4N2
Molecular Weight234.20 g/mol
Exact Mass234.08
IUPAC Name4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline
SMILESNc1cc(F)c(N2CCC(F)(F)C2)c(F)c1
InChIInChI=1S/C10H10F4N2/c11-7-3-6(15)4-8(12)9(7)16-2-1-10(13,14)5-16/h3-4H,1-2,5,15H2
InChIKeyRLOJBHZPRIAOOD-UHFFFAOYSA-N
XLogP2.39
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline?
The IUPAC name of 4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline (CID 146019182) is 4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline.
What is the SMILES notation for 4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline?
The canonical SMILES for 4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline is Nc1cc(F)c(N2CCC(F)(F)C2)c(F)c1.
What is the InChIKey of 4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline?
The InChIKey is RLOJBHZPRIAOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N2/c11-7-3-6(15)4-8(12)9(7)16-2-1-10(13,14)5-16/h3-4H,1-2,5,15H2.
What are the key properties of 4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline?
4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline has a molecular weight of 234.20 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropyrrolidin-1-yl)-3,5-difluoroaniline is sourced from PubChem (CID 146019182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).