1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine

C6H12FN — CID 118798777

IUPAC1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(CF)CC1
InChIInChI=1S/C6H12FN/c1-8-5-6(4-7)2-3-6/h8H,2-5H2,1H3
InChIKeyKBAPSBBBPMYWKI-UHFFFAOYSA-N
MW117.17 g/mol
LogP0.96
Rot. Bonds3

About 1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine

1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine (PubChem CID 118798777) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is 1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine
PubChem CID118798777
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine
SMILESCNCC1(CF)CC1
InChIInChI=1S/C6H12FN/c1-8-5-6(4-7)2-3-6/h8H,2-5H2,1H3
InChIKeyKBAPSBBBPMYWKI-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine?
The IUPAC name of 1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine (CID 118798777) is 1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine is CNCC1(CF)CC1.
What is the InChIKey of 1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine?
The InChIKey is KBAPSBBBPMYWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN/c1-8-5-6(4-7)2-3-6/h8H,2-5H2,1H3.
What are the key properties of 1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine?
1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine has a molecular weight of 117.17 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(fluoromethyl)cyclopropyl]-N-methylmethanamine is sourced from PubChem (CID 118798777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).