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

C7H11F2N — CID 151156216

IUPAC1-[(E)-but-2-enyl]-3,3-difluoroazetidine
SMILESC/C=C/CN1CC(F)(F)C1
InChIInChI=1S/C7H11F2N/c1-2-3-4-10-5-7(8,9)6-10/h2-3H,4-6H2,1H3/b3-2+
InChIKeyMZHJCTSYQVWJTB-NSCUHMNNSA-N
MW147.17 g/mol
LogP1.51
Rot. Bonds2

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

1-[(E)-but-2-enyl]-3,3-difluoroazetidine (PubChem CID 151156216) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]-3,3-difluoroazetidine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]-3,3-difluoroazetidine
PubChem CID151156216
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1-[(E)-but-2-enyl]-3,3-difluoroazetidine
SMILESC/C=C/CN1CC(F)(F)C1
InChIInChI=1S/C7H11F2N/c1-2-3-4-10-5-7(8,9)6-10/h2-3H,4-6H2,1H3/b3-2+
InChIKeyMZHJCTSYQVWJTB-NSCUHMNNSA-N
XLogP1.51
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 ≤ 51.51
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-pent-2-enylazetidine
CID 123778173
N-(2,2-difluoroethyl)-N-methylprop-2-en-1-amine
CID 130670085
3,3-difluoro-1-[(2E)-penta-2,4-dienyl]azetidine
CID 132236530
3,3-difluoro-1-[(E)-pent-2-enyl]azetidine
CID 139550354
3,3-difluoro-1-[(Z)-3-iodoprop-2-enyl]azetidine
CID 141359466
3,3-Difluoro-1-(2-methylprop-2-enyl)azetidine
CID 166696193
2,2-difluoro-N-methyl-N-prop-2-enylpropan-1-amine
CID 168995076
1-But-2-enyl-3-fluoroazetidine
CID 175815484
1-But-2-enylazetidine
CID 5364796
N-(2,2-difluoroethyl)-N-ethylprop-2-en-1-amine
CID 130605250
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-[(E)-but-2-enyl]-3,3-difluoroazetidine?
The IUPAC name of 1-[(E)-but-2-enyl]-3,3-difluoroazetidine (CID 151156216) is 1-[(E)-but-2-enyl]-3,3-difluoroazetidine.
What is the SMILES notation for 1-[(E)-but-2-enyl]-3,3-difluoroazetidine?
The canonical SMILES for 1-[(E)-but-2-enyl]-3,3-difluoroazetidine is C/C=C/CN1CC(F)(F)C1.
What is the InChIKey of 1-[(E)-but-2-enyl]-3,3-difluoroazetidine?
The InChIKey is MZHJCTSYQVWJTB-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H11F2N/c1-2-3-4-10-5-7(8,9)6-10/h2-3H,4-6H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]-3,3-difluoroazetidine?
1-[(E)-but-2-enyl]-3,3-difluoroazetidine has a molecular weight of 147.17 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]-3,3-difluoroazetidine is sourced from PubChem (CID 151156216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).