(3,3-difluoropyrrolidin-1-yl)methanamine

C5H10F2N2 — CID 116991591

IUPAC(3,3-difluoropyrrolidin-1-yl)methanamine
SMILESNCN1CCC(F)(F)C1
InChIInChI=1S/C5H10F2N2/c6-5(7)1-2-9(3-5)4-8/h1-4,8H2
InChIKeyHUXOJGOMLXYWPK-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.24
Rot. Bonds1

About (3,3-difluoropyrrolidin-1-yl)methanamine

(3,3-difluoropyrrolidin-1-yl)methanamine (PubChem CID 116991591) has the molecular formula C5H10F2N2 and a molecular weight of 136.15 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)methanamine.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)methanamine
PubChem CID116991591
Molecular FormulaC5H10F2N2
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC Name(3,3-difluoropyrrolidin-1-yl)methanamine
SMILESNCN1CCC(F)(F)C1
InChIInChI=1S/C5H10F2N2/c6-5(7)1-2-9(3-5)4-8/h1-4,8H2
InChIKeyHUXOJGOMLXYWPK-UHFFFAOYSA-N
XLogP0.24
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)methanamine?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)methanamine (CID 116991591) is (3,3-difluoropyrrolidin-1-yl)methanamine.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)methanamine?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)methanamine is NCN1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)methanamine?
The InChIKey is HUXOJGOMLXYWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2N2/c6-5(7)1-2-9(3-5)4-8/h1-4,8H2.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)methanamine?
(3,3-difluoropyrrolidin-1-yl)methanamine has a molecular weight of 136.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)methanamine is sourced from PubChem (CID 116991591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).