N-[1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-2-methylpropan-2-yl]-3-fluorocyclobutan-1-amine

C15H27F3N2 — CID 159528330

IUPACN-[1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-2-methylpropan-2-yl]-3-fluorocyclobutan-1-amine
SMILESCC(C)N1CC(CC(C)(C)NC2CC(F)C2)C(F)(F)C1
InChIInChI=1S/C15H27F3N2/c1-10(2)20-8-11(15(17,18)9-20)7-14(3,4)19-13-5-12(16)6-13/h10-13,19H,5-9H2,1-4H3
InChIKeyMCQXMWTXIVDFRA-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.22
Rot. Bonds5

About N-[1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-2-methylpropan-2-yl]-3-fluorocyclobutan-1-amine

N-[1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-2-methylpropan-2-yl]-3-fluorocyclobutan-1-amine (PubChem CID 159528330) has the molecular formula C15H27F3N2 and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-2-methylpropan-2-yl]-3-fluorocyclobutan-1-amine.

Molecular Properties

Compound NameN-[1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-2-methylpropan-2-yl]-3-fluorocyclobutan-1-amine
PubChem CID159528330
Molecular FormulaC15H27F3N2
Molecular Weight292.39 g/mol
Exact Mass292.21
IUPAC NameN-[1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-2-methylpropan-2-yl]-3-fluorocyclobutan-1-amine
SMILESCC(C)N1CC(CC(C)(C)NC2CC(F)C2)C(F)(F)C1
InChIInChI=1S/C15H27F3N2/c1-10(2)20-8-11(15(17,18)9-20)7-14(3,4)19-13-5-12(16)6-13/h10-13,19H,5-9H2,1-4H3
InChIKeyMCQXMWTXIVDFRA-UHFFFAOYSA-N
XLogP3.22
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-2-methylpropan-2-yl]-3-fluorocyclobutan-1-amine?
The IUPAC name of N-[1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-2-methylpropan-2-yl]-3-fluorocyclobutan-1-amine (CID 159528330) is N-[1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-2-methylpropan-2-yl]-3-fluorocyclobutan-1-amine.
What is the SMILES notation for N-[1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-2-methylpropan-2-yl]-3-fluorocyclobutan-1-amine?
The canonical SMILES for N-[1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-2-methylpropan-2-yl]-3-fluorocyclobutan-1-amine is CC(C)N1CC(CC(C)(C)NC2CC(F)C2)C(F)(F)C1.
What is the InChIKey of N-[1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-2-methylpropan-2-yl]-3-fluorocyclobutan-1-amine?
The InChIKey is MCQXMWTXIVDFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2/c1-10(2)20-8-11(15(17,18)9-20)7-14(3,4)19-13-5-12(16)6-13/h10-13,19H,5-9H2,1-4H3.
What are the key properties of N-[1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-2-methylpropan-2-yl]-3-fluorocyclobutan-1-amine?
N-[1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-2-methylpropan-2-yl]-3-fluorocyclobutan-1-amine has a molecular weight of 292.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-difluoro-1-propan-2-ylpyrrolidin-3-yl)-2-methylpropan-2-yl]-3-fluorocyclobutan-1-amine is sourced from PubChem (CID 159528330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).