3-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylcyclobutan-1-amine

C10H18F2N2 — CID 163296117

IUPAC3-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(N)CC1N1CCC(F)(F)C1
InChIInChI=1S/C10H18F2N2/c1-9(2)7(13)5-8(9)14-4-3-10(11,12)6-14/h7-8H,3-6,13H2,1-2H3
InChIKeyFOVYCKOTMUNKMO-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.45
Rot. Bonds1

About 3-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylcyclobutan-1-amine

3-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylcyclobutan-1-amine (PubChem CID 163296117) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 3-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylcyclobutan-1-amine
PubChem CID163296117
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name3-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(N)CC1N1CCC(F)(F)C1
InChIInChI=1S/C10H18F2N2/c1-9(2)7(13)5-8(9)14-4-3-10(11,12)6-14/h7-8H,3-6,13H2,1-2H3
InChIKeyFOVYCKOTMUNKMO-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.45
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-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylcyclobutan-1-amine (CID 163296117) is 3-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylcyclobutan-1-amine is CC1(C)C(N)CC1N1CCC(F)(F)C1.
What is the InChIKey of 3-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is FOVYCKOTMUNKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-9(2)7(13)5-8(9)14-4-3-10(11,12)6-14/h7-8H,3-6,13H2,1-2H3.
What are the key properties of 3-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylcyclobutan-1-amine?
3-(3,3-difluoropyrrolidin-1-yl)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 204.26 g/mol, XLogP of 1.45, 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-dimethylcyclobutan-1-amine is sourced from PubChem (CID 163296117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).