3-(3,3-difluoropyrrolidin-1-yl)-2,2,4,4-tetramethylcyclobutan-1-amine

C12H22F2N2 — CID 163294682

IUPAC3-(3,3-difluoropyrrolidin-1-yl)-2,2,4,4-tetramethylcyclobutan-1-amine
SMILESCC1(C)C(N)C(C)(C)C1N1CCC(F)(F)C1
InChIInChI=1S/C12H22F2N2/c1-10(2)8(15)11(3,4)9(10)16-6-5-12(13,14)7-16/h8-9H,5-7,15H2,1-4H3
InChIKeyKIGZIFMTECZULE-UHFFFAOYSA-N
MW232.32 g/mol
LogP2.09
Rot. Bonds1

About 3-(3,3-difluoropyrrolidin-1-yl)-2,2,4,4-tetramethylcyclobutan-1-amine

3-(3,3-difluoropyrrolidin-1-yl)-2,2,4,4-tetramethylcyclobutan-1-amine (PubChem CID 163294682) has the molecular formula C12H22F2N2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-(3,3-difluoropyrrolidin-1-yl)-2,2,4,4-tetramethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,3-difluoropyrrolidin-1-yl)-2,2,4,4-tetramethylcyclobutan-1-amine
PubChem CID163294682
Molecular FormulaC12H22F2N2
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Name3-(3,3-difluoropyrrolidin-1-yl)-2,2,4,4-tetramethylcyclobutan-1-amine
SMILESCC1(C)C(N)C(C)(C)C1N1CCC(F)(F)C1
InChIInChI=1S/C12H22F2N2/c1-10(2)8(15)11(3,4)9(10)16-6-5-12(13,14)7-16/h8-9H,5-7,15H2,1-4H3
InChIKeyKIGZIFMTECZULE-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)-2,2,4,4-tetramethylcyclobutan-1-amine?
The IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)-2,2,4,4-tetramethylcyclobutan-1-amine (CID 163294682) is 3-(3,3-difluoropyrrolidin-1-yl)-2,2,4,4-tetramethylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,3-difluoropyrrolidin-1-yl)-2,2,4,4-tetramethylcyclobutan-1-amine?
The canonical SMILES for 3-(3,3-difluoropyrrolidin-1-yl)-2,2,4,4-tetramethylcyclobutan-1-amine is CC1(C)C(N)C(C)(C)C1N1CCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoropyrrolidin-1-yl)-2,2,4,4-tetramethylcyclobutan-1-amine?
The InChIKey is KIGZIFMTECZULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2/c1-10(2)8(15)11(3,4)9(10)16-6-5-12(13,14)7-16/h8-9H,5-7,15H2,1-4H3.
What are the key properties of 3-(3,3-difluoropyrrolidin-1-yl)-2,2,4,4-tetramethylcyclobutan-1-amine?
3-(3,3-difluoropyrrolidin-1-yl)-2,2,4,4-tetramethylcyclobutan-1-amine has a molecular weight of 232.32 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropyrrolidin-1-yl)-2,2,4,4-tetramethylcyclobutan-1-amine is sourced from PubChem (CID 163294682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).