1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine

C10H18F2N2 — CID 130806262

IUPAC1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine
SMILESNC(CN1CCC(F)(F)C1)C1CCC1
InChIInChI=1S/C10H18F2N2/c11-10(12)4-5-14(7-10)6-9(13)8-2-1-3-8/h8-9H,1-7,13H2
InChIKeyVOOYRWHKZLXUBL-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.45
Rot. Bonds3

About 1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine

1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine (PubChem CID 130806262) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine
PubChem CID130806262
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine
SMILESNC(CN1CCC(F)(F)C1)C1CCC1
InChIInChI=1S/C10H18F2N2/c11-10(12)4-5-14(7-10)6-9(13)8-2-1-3-8/h8-9H,1-7,13H2
InChIKeyVOOYRWHKZLXUBL-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

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CID 130977023
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CID 139475018
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CID 159528330
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CID 170739955
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CID 172334195
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CID 172334196
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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine?
The IUPAC name of 1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine (CID 130806262) is 1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine?
The canonical SMILES for 1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine is NC(CN1CCC(F)(F)C1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine?
The InChIKey is VOOYRWHKZLXUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c11-10(12)4-5-14(7-10)6-9(13)8-2-1-3-8/h8-9H,1-7,13H2.
What are the key properties of 1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine?
1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine has a molecular weight of 204.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-2-(3,3-difluoropyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 130806262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).