2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine

C11H20FNO — CID 112567276

IUPAC2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine
SMILESNCC(F)(CCC1CCCO1)C1CC1
InChIInChI=1S/C11H20FNO/c12-11(8-13,9-3-4-9)6-5-10-2-1-7-14-10/h9-10H,1-8,13H2
InChIKeyOSWZVGVOLYEERQ-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.02
Rot. Bonds5

About 2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine

2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine (PubChem CID 112567276) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine
PubChem CID112567276
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine
SMILESNCC(F)(CCC1CCCO1)C1CC1
InChIInChI=1S/C11H20FNO/c12-11(8-13,9-3-4-9)6-5-10-2-1-7-14-10/h9-10H,1-8,13H2
InChIKeyOSWZVGVOLYEERQ-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine 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 2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine (CID 112567276) is 2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine is NCC(F)(CCC1CCCO1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is OSWZVGVOLYEERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c12-11(8-13,9-3-4-9)6-5-10-2-1-7-14-10/h9-10H,1-8,13H2.
What are the key properties of 2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine?
2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 201.28 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 112567276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).