1-(2-methylprop-2-enyl)-3-(trifluoromethyl)azetidine

C8H12F3N — CID 130723540

IUPAC1-(2-methylprop-2-enyl)-3-(trifluoromethyl)azetidine
SMILESC=C(C)CN1CC(C(F)(F)F)C1
InChIInChI=1S/C8H12F3N/c1-6(2)3-12-4-7(5-12)8(9,10)11/h7H,1,3-5H2,2H3
InChIKeyIDTXZLFRFVKPEY-UHFFFAOYSA-N
MW179.18 g/mol
LogP2.06
Rot. Bonds2

About 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)azetidine

1-(2-methylprop-2-enyl)-3-(trifluoromethyl)azetidine (PubChem CID 130723540) has the molecular formula C8H12F3N and a molecular weight of 179.18 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)azetidine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-3-(trifluoromethyl)azetidine
PubChem CID130723540
Molecular FormulaC8H12F3N
Molecular Weight179.18 g/mol
Exact Mass179.09
IUPAC Name1-(2-methylprop-2-enyl)-3-(trifluoromethyl)azetidine
SMILESC=C(C)CN1CC(C(F)(F)F)C1
InChIInChI=1S/C8H12F3N/c1-6(2)3-12-4-7(5-12)8(9,10)11/h7H,1,3-5H2,2H3
InChIKeyIDTXZLFRFVKPEY-UHFFFAOYSA-N
XLogP2.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Fluoropropyl)-3-methylideneazetidine
CID 139336353
3-Ethylidene-1-(3-fluoropropyl)azetidine
CID 139336467
3-(Difluoromethylidene)-1-ethylazetidine
CID 139474852
1-(2-Ethylbuta-2,3-dienyl)-3,3-difluoroazetidine
CID 161100169
3,3-Difluoro-1-(2-methylprop-2-enyl)azetidine
CID 166696193
1-Tert-butyl-3-(difluoromethylidene)azetidine
CID 167168791
1-[(2R)-butan-2-yl]-3-(difluoromethylidene)azetidine
CID 174031054
3,3-Difluoro-1-(3-methylbut-3-enyl)azetidine
CID 174352272
3-(Fluoromethylidene)-1-methylazetidine
CID 178087846
3-(Difluoromethyl)-1-prop-2-enylazetidine
CID 130659064
1-Prop-2-enyl-3-(trifluoromethyl)azetidine
CID 131108091

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)azetidine?
The IUPAC name of 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)azetidine (CID 130723540) is 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)azetidine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)azetidine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)azetidine is C=C(C)CN1CC(C(F)(F)F)C1.
What is the InChIKey of 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)azetidine?
The InChIKey is IDTXZLFRFVKPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-6(2)3-12-4-7(5-12)8(9,10)11/h7H,1,3-5H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)azetidine?
1-(2-methylprop-2-enyl)-3-(trifluoromethyl)azetidine has a molecular weight of 179.18 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-3-(trifluoromethyl)azetidine is sourced from PubChem (CID 130723540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).