1-but-1-en-2-yl-3,3-difluoroazetidine

C7H11F2N — CID 142320682

IUPAC1-but-1-en-2-yl-3,3-difluoroazetidine
SMILESC=C(CC)N1CC(F)(F)C1
InChIInChI=1S/C7H11F2N/c1-3-6(2)10-4-7(8,9)5-10/h2-5H2,1H3
InChIKeyFUYOBZWCXXIXCS-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.86
Rot. Bonds2

About 1-but-1-en-2-yl-3,3-difluoroazetidine

1-but-1-en-2-yl-3,3-difluoroazetidine (PubChem CID 142320682) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 1-but-1-en-2-yl-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-but-1-en-2-yl-3,3-difluoroazetidine
PubChem CID142320682
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1-but-1-en-2-yl-3,3-difluoroazetidine
SMILESC=C(CC)N1CC(F)(F)C1
InChIInChI=1S/C7H11F2N/c1-3-6(2)10-4-7(8,9)5-10/h2-5H2,1H3
InChIKeyFUYOBZWCXXIXCS-UHFFFAOYSA-N
XLogP1.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-3,3-difluoroazetidine?
The IUPAC name of 1-but-1-en-2-yl-3,3-difluoroazetidine (CID 142320682) is 1-but-1-en-2-yl-3,3-difluoroazetidine.
What is the SMILES notation for 1-but-1-en-2-yl-3,3-difluoroazetidine?
The canonical SMILES for 1-but-1-en-2-yl-3,3-difluoroazetidine is C=C(CC)N1CC(F)(F)C1.
What is the InChIKey of 1-but-1-en-2-yl-3,3-difluoroazetidine?
The InChIKey is FUYOBZWCXXIXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-3-6(2)10-4-7(8,9)5-10/h2-5H2,1H3.
What are the key properties of 1-but-1-en-2-yl-3,3-difluoroazetidine?
1-but-1-en-2-yl-3,3-difluoroazetidine has a molecular weight of 147.17 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-3,3-difluoroazetidine is sourced from PubChem (CID 142320682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).