1-cyclopropyl-2-fluoro-N-methylethanamine

C6H12FN — CID 83814970

IUPAC1-cyclopropyl-2-fluoro-N-methylethanamine
SMILESCNC(CF)C1CC1
InChIInChI=1S/C6H12FN/c1-8-6(4-7)5-2-3-5/h5-6,8H,2-4H2,1H3
InChIKeyJOWSCKVDJRWCIC-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.95
Rot. Bonds3

About 1-cyclopropyl-2-fluoro-N-methylethanamine

1-cyclopropyl-2-fluoro-N-methylethanamine (PubChem CID 83814970) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 1-cyclopropyl-2-fluoro-N-methylethanamine.

Molecular Properties

Compound Name1-cyclopropyl-2-fluoro-N-methylethanamine
PubChem CID83814970
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name1-cyclopropyl-2-fluoro-N-methylethanamine
SMILESCNC(CF)C1CC1
InChIInChI=1S/C6H12FN/c1-8-6(4-7)5-2-3-5/h5-6,8H,2-4H2,1H3
InChIKeyJOWSCKVDJRWCIC-UHFFFAOYSA-N
XLogP0.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-fluoro-N-methylethanamine?
The IUPAC name of 1-cyclopropyl-2-fluoro-N-methylethanamine (CID 83814970) is 1-cyclopropyl-2-fluoro-N-methylethanamine.
What is the SMILES notation for 1-cyclopropyl-2-fluoro-N-methylethanamine?
The canonical SMILES for 1-cyclopropyl-2-fluoro-N-methylethanamine is CNC(CF)C1CC1.
What is the InChIKey of 1-cyclopropyl-2-fluoro-N-methylethanamine?
The InChIKey is JOWSCKVDJRWCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-8-6(4-7)5-2-3-5/h5-6,8H,2-4H2,1H3.
What are the key properties of 1-cyclopropyl-2-fluoro-N-methylethanamine?
1-cyclopropyl-2-fluoro-N-methylethanamine has a molecular weight of 117.17 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-fluoro-N-methylethanamine is sourced from PubChem (CID 83814970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).