4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine

C7H14F2N2O — CID 144847262

IUPAC4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine
SMILESCNC.O=CC1CC(F)(F)CN1
InChIInChI=1S/C5H7F2NO.C2H7N/c6-5(7)1-4(2-9)8-3-5;1-3-2/h2,4,8H,1,3H2;3H,1-2H3
InChIKeyLNFZGXIHSAJDKQ-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.02
Rot. Bonds1

About 4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine

4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine (PubChem CID 144847262) has the molecular formula C7H14F2N2O and a molecular weight of 180.20 g/mol. Its IUPAC name is 4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine.

Molecular Properties

Compound Name4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine
PubChem CID144847262
Molecular FormulaC7H14F2N2O
Molecular Weight180.20 g/mol
Exact Mass180.11
IUPAC Name4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine
SMILESCNC.O=CC1CC(F)(F)CN1
InChIInChI=1S/C5H7F2NO.C2H7N/c6-5(7)1-4(2-9)8-3-5;1-3-2/h2,4,8H,1,3H2;3H,1-2H3
InChIKeyLNFZGXIHSAJDKQ-UHFFFAOYSA-N
XLogP0.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine?
The IUPAC name of 4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine (CID 144847262) is 4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine.
What is the SMILES notation for 4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine?
The canonical SMILES for 4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine is CNC.O=CC1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine?
The InChIKey is LNFZGXIHSAJDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO.C2H7N/c6-5(7)1-4(2-9)8-3-5;1-3-2/h2,4,8H,1,3H2;3H,1-2H3.
What are the key properties of 4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine?
4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine has a molecular weight of 180.20 g/mol, XLogP of 0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine is sourced from PubChem (CID 144847262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).