1-(1-fluoropropan-2-yl)-3-nonan-3-ylazetidine

C15H30FN — CID 138622774

IUPAC1-(1-fluoropropan-2-yl)-3-nonan-3-ylazetidine
SMILESCCCCCCC(CC)C1CN(C(C)CF)C1
InChIInChI=1S/C15H30FN/c1-4-6-7-8-9-14(5-2)15-11-17(12-15)13(3)10-16/h13-15H,4-12H2,1-3H3
InChIKeyYKWSXDIGZSHBRA-UHFFFAOYSA-N
MW243.41 g/mol
LogP4.27
Rot. Bonds9

About 1-(1-fluoropropan-2-yl)-3-nonan-3-ylazetidine

1-(1-fluoropropan-2-yl)-3-nonan-3-ylazetidine (PubChem CID 138622774) has the molecular formula C15H30FN and a molecular weight of 243.41 g/mol. Its IUPAC name is 1-(1-fluoropropan-2-yl)-3-nonan-3-ylazetidine.

Molecular Properties

Compound Name1-(1-fluoropropan-2-yl)-3-nonan-3-ylazetidine
PubChem CID138622774
Molecular FormulaC15H30FN
Molecular Weight243.41 g/mol
Exact Mass243.24
IUPAC Name1-(1-fluoropropan-2-yl)-3-nonan-3-ylazetidine
SMILESCCCCCCC(CC)C1CN(C(C)CF)C1
InChIInChI=1S/C15H30FN/c1-4-6-7-8-9-14(5-2)15-11-17(12-15)13(3)10-16/h13-15H,4-12H2,1-3H3
InChIKeyYKWSXDIGZSHBRA-UHFFFAOYSA-N
XLogP4.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.41
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(1-fluoropropan-2-yl)-3-nonan-3-ylazetidine 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-fluoropropan-2-yl)-3-nonan-3-ylazetidine?
The IUPAC name of 1-(1-fluoropropan-2-yl)-3-nonan-3-ylazetidine (CID 138622774) is 1-(1-fluoropropan-2-yl)-3-nonan-3-ylazetidine.
What is the SMILES notation for 1-(1-fluoropropan-2-yl)-3-nonan-3-ylazetidine?
The canonical SMILES for 1-(1-fluoropropan-2-yl)-3-nonan-3-ylazetidine is CCCCCCC(CC)C1CN(C(C)CF)C1.
What is the InChIKey of 1-(1-fluoropropan-2-yl)-3-nonan-3-ylazetidine?
The InChIKey is YKWSXDIGZSHBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30FN/c1-4-6-7-8-9-14(5-2)15-11-17(12-15)13(3)10-16/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-(1-fluoropropan-2-yl)-3-nonan-3-ylazetidine?
1-(1-fluoropropan-2-yl)-3-nonan-3-ylazetidine has a molecular weight of 243.41 g/mol, XLogP of 4.27, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropropan-2-yl)-3-nonan-3-ylazetidine is sourced from PubChem (CID 138622774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).