1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine

C7H11F2N — CID 144929283

IUPAC1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine
SMILESC/C=C(\C)N1CC(F)(F)C1
InChIInChI=1S/C7H11F2N/c1-3-6(2)10-4-7(8,9)5-10/h3H,4-5H2,1-2H3/b6-3+
InChIKeyWRAIWSNVUBCOSL-ZZXKWVIFSA-N
MW147.17 g/mol
LogP1.86
Rot. Bonds1

About 1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine

1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine (PubChem CID 144929283) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine
PubChem CID144929283
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine
SMILESC/C=C(\C)N1CC(F)(F)C1
InChIInChI=1S/C7H11F2N/c1-3-6(2)10-4-7(8,9)5-10/h3H,4-5H2,1-2H3/b6-3+
InChIKeyWRAIWSNVUBCOSL-ZZXKWVIFSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-Difluoro-1-prop-1-en-2-ylazetidine
CID 146292708
3,3-Difluoro-1-prop-1-en-2-ylazetidine;ethane
CID 157033561
3-Fluoro-1-prop-1-en-2-ylazetidine
CID 166960449
(Z)-N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine
CID 167287848
N-methyl-N-(2,2,2-trifluoroethyl)but-2-en-2-amine
CID 174100546
1-Buta-2,3-dien-2-yl-3,3-difluoroazetidine
CID 174137280
1-But-1-en-2-yl-3,3-difluoroazetidine
CID 142320682
1-[(E)-but-2-en-2-yl]azetidine
CID 117661804
1-But-2-en-2-ylazetidine
CID 123950090

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine?
The IUPAC name of 1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine (CID 144929283) is 1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine.
What is the SMILES notation for 1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine?
The canonical SMILES for 1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine is C/C=C(\C)N1CC(F)(F)C1.
What is the InChIKey of 1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine?
The InChIKey is WRAIWSNVUBCOSL-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H11F2N/c1-3-6(2)10-4-7(8,9)5-10/h3H,4-5H2,1-2H3/b6-3+.
What are the key properties of 1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine?
1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine has a molecular weight of 147.17 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-en-2-yl]-3,3-difluoroazetidine is sourced from PubChem (CID 144929283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).