1-buta-2,3-dien-2-yl-3,3-difluoroazetidine

C7H9F2N — CID 174137280

IUPAC1-buta-2,3-dien-2-yl-3,3-difluoroazetidine
SMILESC=C=C(C)N1CC(F)(F)C1
InChIInChI=1S/C7H9F2N/c1-3-6(2)10-4-7(8,9)5-10/h1,4-5H2,2H3
InChIKeyRIVFGRLYYXDGLI-UHFFFAOYSA-N
MW145.15 g/mol
LogP1.63
Rot. Bonds1

About 1-buta-2,3-dien-2-yl-3,3-difluoroazetidine

1-buta-2,3-dien-2-yl-3,3-difluoroazetidine (PubChem CID 174137280) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 1-buta-2,3-dien-2-yl-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-buta-2,3-dien-2-yl-3,3-difluoroazetidine
PubChem CID174137280
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name1-buta-2,3-dien-2-yl-3,3-difluoroazetidine
SMILESC=C=C(C)N1CC(F)(F)C1
InChIInChI=1S/C7H9F2N/c1-3-6(2)10-4-7(8,9)5-10/h1,4-5H2,2H3
InChIKeyRIVFGRLYYXDGLI-UHFFFAOYSA-N
XLogP1.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine
CID 144929283
3,3-Difluoro-1-prop-1-en-2-ylazetidine
CID 146292708
3,3-Difluoro-1-(3-methylbut-2-en-2-yl)azetidine
CID 155036779
3,3-Difluoro-1-prop-1-en-2-ylazetidine;ethane
CID 157033561
3-Fluoro-1-prop-1-en-2-ylazetidine
CID 166960449
1-But-1-en-2-yl-3,3-difluoroazetidine
CID 142320682

Frequently Asked Questions

What is the IUPAC name of 1-buta-2,3-dien-2-yl-3,3-difluoroazetidine?
The IUPAC name of 1-buta-2,3-dien-2-yl-3,3-difluoroazetidine (CID 174137280) is 1-buta-2,3-dien-2-yl-3,3-difluoroazetidine.
What is the SMILES notation for 1-buta-2,3-dien-2-yl-3,3-difluoroazetidine?
The canonical SMILES for 1-buta-2,3-dien-2-yl-3,3-difluoroazetidine is C=C=C(C)N1CC(F)(F)C1.
What is the InChIKey of 1-buta-2,3-dien-2-yl-3,3-difluoroazetidine?
The InChIKey is RIVFGRLYYXDGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c1-3-6(2)10-4-7(8,9)5-10/h1,4-5H2,2H3.
What are the key properties of 1-buta-2,3-dien-2-yl-3,3-difluoroazetidine?
1-buta-2,3-dien-2-yl-3,3-difluoroazetidine has a molecular weight of 145.15 g/mol, XLogP of 1.63, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-2,3-dien-2-yl-3,3-difluoroazetidine is sourced from PubChem (CID 174137280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).