3-fluoro-3-methyl-1-propan-2-ylazetidine

C7H14FN — CID 58547266

IUPAC3-fluoro-3-methyl-1-propan-2-ylazetidine
SMILESCC(C)N1CC(C)(F)C1
InChIInChI=1S/C7H14FN/c1-6(2)9-4-7(3,8)5-9/h6H,4-5H2,1-3H3
InChIKeyCSNOMSQIAMIABC-UHFFFAOYSA-N
MW131.19 g/mol
LogP1.44
Rot. Bonds1

About 3-fluoro-3-methyl-1-propan-2-ylazetidine

3-fluoro-3-methyl-1-propan-2-ylazetidine (PubChem CID 58547266) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is 3-fluoro-3-methyl-1-propan-2-ylazetidine.

Molecular Properties

Compound Name3-fluoro-3-methyl-1-propan-2-ylazetidine
PubChem CID58547266
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name3-fluoro-3-methyl-1-propan-2-ylazetidine
SMILESCC(C)N1CC(C)(F)C1
InChIInChI=1S/C7H14FN/c1-6(2)9-4-7(3,8)5-9/h6H,4-5H2,1-3H3
InChIKeyCSNOMSQIAMIABC-UHFFFAOYSA-N
XLogP1.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-methyl-1-propan-2-ylazetidine?
The IUPAC name of 3-fluoro-3-methyl-1-propan-2-ylazetidine (CID 58547266) is 3-fluoro-3-methyl-1-propan-2-ylazetidine.
What is the SMILES notation for 3-fluoro-3-methyl-1-propan-2-ylazetidine?
The canonical SMILES for 3-fluoro-3-methyl-1-propan-2-ylazetidine is CC(C)N1CC(C)(F)C1.
What is the InChIKey of 3-fluoro-3-methyl-1-propan-2-ylazetidine?
The InChIKey is CSNOMSQIAMIABC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN/c1-6(2)9-4-7(3,8)5-9/h6H,4-5H2,1-3H3.
What are the key properties of 3-fluoro-3-methyl-1-propan-2-ylazetidine?
3-fluoro-3-methyl-1-propan-2-ylazetidine has a molecular weight of 131.19 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-methyl-1-propan-2-ylazetidine is sourced from PubChem (CID 58547266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).