1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine

C10H18F2N2 — CID 130640668

IUPAC1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine
SMILESNC1(CN2CCC(F)(F)C2)CCCC1
InChIInChI=1S/C10H18F2N2/c11-10(12)5-6-14(8-10)7-9(13)3-1-2-4-9/h1-8,13H2
InChIKeyLPTIJIXKQLUMJG-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.60
Rot. Bonds2

About 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine

1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine (PubChem CID 130640668) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine
PubChem CID130640668
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine
SMILESNC1(CN2CCC(F)(F)C2)CCCC1
InChIInChI=1S/C10H18F2N2/c11-10(12)5-6-14(8-10)7-9(13)3-1-2-4-9/h1-8,13H2
InChIKeyLPTIJIXKQLUMJG-UHFFFAOYSA-N
XLogP1.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine (CID 130640668) is 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine is NC1(CN2CCC(F)(F)C2)CCCC1.
What is the InChIKey of 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine?
The InChIKey is LPTIJIXKQLUMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c11-10(12)5-6-14(8-10)7-9(13)3-1-2-4-9/h1-8,13H2.
What are the key properties of 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine?
1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine has a molecular weight of 204.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,3-difluoropyrrolidin-1-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 130640668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).