3-(difluoromethyl)-1-prop-2-enylazetidine

C7H11F2N — CID 130659064

IUPAC3-(difluoromethyl)-1-prop-2-enylazetidine
SMILESC=CCN1CC(C(F)F)C1
InChIInChI=1S/C7H11F2N/c1-2-3-10-4-6(5-10)7(8)9/h2,6-7H,1,3-5H2
InChIKeyAXXLRRRZHRLBTC-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.37
Rot. Bonds3

About 3-(difluoromethyl)-1-prop-2-enylazetidine

3-(difluoromethyl)-1-prop-2-enylazetidine (PubChem CID 130659064) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-prop-2-enylazetidine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-prop-2-enylazetidine
PubChem CID130659064
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name3-(difluoromethyl)-1-prop-2-enylazetidine
SMILESC=CCN1CC(C(F)F)C1
InChIInChI=1S/C7H11F2N/c1-2-3-10-4-6(5-10)7(8)9/h2,6-7H,1,3-5H2
InChIKeyAXXLRRRZHRLBTC-UHFFFAOYSA-N
XLogP1.37
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.37
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

3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine
CID 141359466
3,3-Difluoro-1-(2-methylprop-2-enyl)azetidine
CID 166696193
1-(2-Methylprop-2-enyl)-3-(trifluoromethyl)azetidine
CID 130723540
1-Prop-2-enyl-3-(trifluoromethyl)azetidine
CID 131108091
1-[(E)-3-chloroprop-2-enyl]-3-(difluoromethyl)azetidine
CID 131231999
1-[(E)-but-2-enyl]-3,3-difluoroazetidine
CID 151156216
3-(difluoromethyl)-1-[(2E)-penta-2,4-dienyl]azetidine
CID 177231769
3-Methyl-1-prop-2-enylazetidine
CID 167204485
3-(difluoromethyl)-1-[(2E)-penta-2,4-dienyl]azetidine;ethane;ethene
CID 177231768

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-prop-2-enylazetidine?
The IUPAC name of 3-(difluoromethyl)-1-prop-2-enylazetidine (CID 130659064) is 3-(difluoromethyl)-1-prop-2-enylazetidine.
What is the SMILES notation for 3-(difluoromethyl)-1-prop-2-enylazetidine?
The canonical SMILES for 3-(difluoromethyl)-1-prop-2-enylazetidine is C=CCN1CC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-1-prop-2-enylazetidine?
The InChIKey is AXXLRRRZHRLBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-2-3-10-4-6(5-10)7(8)9/h2,6-7H,1,3-5H2.
What are the key properties of 3-(difluoromethyl)-1-prop-2-enylazetidine?
3-(difluoromethyl)-1-prop-2-enylazetidine has a molecular weight of 147.17 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-prop-2-enylazetidine is sourced from PubChem (CID 130659064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).