3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine

C16H24FN — CID 170134777

IUPAC3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine
SMILESC=C/C(C)=C(CC1CNC1)\C(=C/CF)C(=C)CC
InChIInChI=1S/C16H24FN/c1-5-12(3)15(7-8-17)16(13(4)6-2)9-14-10-18-11-14/h6-7,14,18H,2-3,5,8-11H2,1,4H3/b15-7-,16-13-
InChIKeyWGSBBHSSLNCVCI-PEQRHACFSA-N
MW249.37 g/mol
LogP3.96
Rot. Bonds7

About 3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine

3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine (PubChem CID 170134777) has the molecular formula C16H24FN and a molecular weight of 249.37 g/mol. Its IUPAC name is 3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine.

Molecular Properties

Compound Name3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine
PubChem CID170134777
Molecular FormulaC16H24FN
Molecular Weight249.37 g/mol
Exact Mass249.19
IUPAC Name3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine
SMILESC=C/C(C)=C(CC1CNC1)\C(=C/CF)C(=C)CC
InChIInChI=1S/C16H24FN/c1-5-12(3)15(7-8-17)16(13(4)6-2)9-14-10-18-11-14/h6-7,14,18H,2-3,5,8-11H2,1,4H3/b15-7-,16-13-
InChIKeyWGSBBHSSLNCVCI-PEQRHACFSA-N
XLogP3.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine?
The IUPAC name of 3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine (CID 170134777) is 3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine.
What is the SMILES notation for 3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine?
The canonical SMILES for 3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine is C=C/C(C)=C(CC1CNC1)\C(=C/CF)C(=C)CC.
What is the InChIKey of 3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine?
The InChIKey is WGSBBHSSLNCVCI-PEQRHACFSA-N. The full InChI is InChI=1S/C16H24FN/c1-5-12(3)15(7-8-17)16(13(4)6-2)9-14-10-18-11-14/h6-7,14,18H,2-3,5,8-11H2,1,4H3/b15-7-,16-13-.
What are the key properties of 3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine?
3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine has a molecular weight of 249.37 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2Z,3Z)-2-but-3-en-2-ylidene-3-(2-fluoroethylidene)-4-methylidenehexyl]azetidine is sourced from PubChem (CID 170134777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).