4-(4-amino-2,2-difluorocyclobutyl)-1-methylpyrrolidin-3-amine

C9H17F2N3 — CID 139475018

IUPAC4-(4-amino-2,2-difluorocyclobutyl)-1-methylpyrrolidin-3-amine
SMILESCN1CC(N)C(C2C(N)CC2(F)F)C1
InChIInChI=1S/C9H17F2N3/c1-14-3-5(7(13)4-14)8-6(12)2-9(8,10)11/h5-8H,2-4,12-13H2,1H3
InChIKeyHPONZYJFJFJZHA-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.14
Rot. Bonds1

About 4-(4-amino-2,2-difluorocyclobutyl)-1-methylpyrrolidin-3-amine

4-(4-amino-2,2-difluorocyclobutyl)-1-methylpyrrolidin-3-amine (PubChem CID 139475018) has the molecular formula C9H17F2N3 and a molecular weight of 205.25 g/mol. Its IUPAC name is 4-(4-amino-2,2-difluorocyclobutyl)-1-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name4-(4-amino-2,2-difluorocyclobutyl)-1-methylpyrrolidin-3-amine
PubChem CID139475018
Molecular FormulaC9H17F2N3
Molecular Weight205.25 g/mol
Exact Mass205.14
IUPAC Name4-(4-amino-2,2-difluorocyclobutyl)-1-methylpyrrolidin-3-amine
SMILESCN1CC(N)C(C2C(N)CC2(F)F)C1
InChIInChI=1S/C9H17F2N3/c1-14-3-5(7(13)4-14)8-6(12)2-9(8,10)11/h5-8H,2-4,12-13H2,1H3
InChIKeyHPONZYJFJFJZHA-UHFFFAOYSA-N
XLogP-0.14
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,2-difluorocyclobutyl)-1-methylpyrrolidin-3-amine?
The IUPAC name of 4-(4-amino-2,2-difluorocyclobutyl)-1-methylpyrrolidin-3-amine (CID 139475018) is 4-(4-amino-2,2-difluorocyclobutyl)-1-methylpyrrolidin-3-amine.
What is the SMILES notation for 4-(4-amino-2,2-difluorocyclobutyl)-1-methylpyrrolidin-3-amine?
The canonical SMILES for 4-(4-amino-2,2-difluorocyclobutyl)-1-methylpyrrolidin-3-amine is CN1CC(N)C(C2C(N)CC2(F)F)C1.
What is the InChIKey of 4-(4-amino-2,2-difluorocyclobutyl)-1-methylpyrrolidin-3-amine?
The InChIKey is HPONZYJFJFJZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N3/c1-14-3-5(7(13)4-14)8-6(12)2-9(8,10)11/h5-8H,2-4,12-13H2,1H3.
What are the key properties of 4-(4-amino-2,2-difluorocyclobutyl)-1-methylpyrrolidin-3-amine?
4-(4-amino-2,2-difluorocyclobutyl)-1-methylpyrrolidin-3-amine has a molecular weight of 205.25 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,2-difluorocyclobutyl)-1-methylpyrrolidin-3-amine is sourced from PubChem (CID 139475018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).