(4,4-difluoro-1-methylpyrrolidin-3-yl)methanamine

C6H12F2N2 — CID 20763700

IUPAC(4,4-difluoro-1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CC(CN)C(F)(F)C1
InChIInChI=1S/C6H12F2N2/c1-10-3-5(2-9)6(7,8)4-10/h5H,2-4,9H2,1H3
InChIKeyWXZDQIZHBPLQRK-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.14
Rot. Bonds1

About (4,4-difluoro-1-methylpyrrolidin-3-yl)methanamine

(4,4-difluoro-1-methylpyrrolidin-3-yl)methanamine (PubChem CID 20763700) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is (4,4-difluoro-1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(4,4-difluoro-1-methylpyrrolidin-3-yl)methanamine
PubChem CID20763700
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name(4,4-difluoro-1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CC(CN)C(F)(F)C1
InChIInChI=1S/C6H12F2N2/c1-10-3-5(2-9)6(7,8)4-10/h5H,2-4,9H2,1H3
InChIKeyWXZDQIZHBPLQRK-UHFFFAOYSA-N
XLogP0.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of (4,4-difluoro-1-methylpyrrolidin-3-yl)methanamine (CID 20763700) is (4,4-difluoro-1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (4,4-difluoro-1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (4,4-difluoro-1-methylpyrrolidin-3-yl)methanamine is CN1CC(CN)C(F)(F)C1.
What is the InChIKey of (4,4-difluoro-1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is WXZDQIZHBPLQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-10-3-5(2-9)6(7,8)4-10/h5H,2-4,9H2,1H3.
What are the key properties of (4,4-difluoro-1-methylpyrrolidin-3-yl)methanamine?
(4,4-difluoro-1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 150.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 20763700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).