2-[(Z,3Z)-3-ethylidene-4-(3,3,3-trifluoropropyl)hept-4-enyl]oxolane

C16H25F3O — CID 129154748

IUPAC2-[(Z,3Z)-3-ethylidene-4-(3,3,3-trifluoropropyl)hept-4-enyl]oxolane
SMILESC/C=C(CCC1CCCO1)\C(=C/CC)CCC(F)(F)F
InChIInChI=1S/C16H25F3O/c1-3-6-14(10-11-16(17,18)19)13(4-2)8-9-15-7-5-12-20-15/h4,6,15H,3,5,7-12H2,1-2H3/b13-4-,14-6-
InChIKeyAMGQBTWYACSBNQ-ZOXWFQFWSA-N
MW290.37 g/mol
LogP5.57
Rot. Bonds7

About 2-[(Z,3Z)-3-ethylidene-4-(3,3,3-trifluoropropyl)hept-4-enyl]oxolane

2-[(Z,3Z)-3-ethylidene-4-(3,3,3-trifluoropropyl)hept-4-enyl]oxolane (PubChem CID 129154748) has the molecular formula C16H25F3O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(Z,3Z)-3-ethylidene-4-(3,3,3-trifluoropropyl)hept-4-enyl]oxolane.

Molecular Properties

Compound Name2-[(Z,3Z)-3-ethylidene-4-(3,3,3-trifluoropropyl)hept-4-enyl]oxolane
PubChem CID129154748
Molecular FormulaC16H25F3O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name2-[(Z,3Z)-3-ethylidene-4-(3,3,3-trifluoropropyl)hept-4-enyl]oxolane
SMILESC/C=C(CCC1CCCO1)\C(=C/CC)CCC(F)(F)F
InChIInChI=1S/C16H25F3O/c1-3-6-14(10-11-16(17,18)19)13(4-2)8-9-15-7-5-12-20-15/h4,6,15H,3,5,7-12H2,1-2H3/b13-4-,14-6-
InChIKeyAMGQBTWYACSBNQ-ZOXWFQFWSA-N
XLogP5.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.37
LogP ≤ 55.57
H-Bond Donors ≤ 50
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 2-[(Z,3Z)-3-ethylidene-4-(3,3,3-trifluoropropyl)hept-4-enyl]oxolane?
The IUPAC name of 2-[(Z,3Z)-3-ethylidene-4-(3,3,3-trifluoropropyl)hept-4-enyl]oxolane (CID 129154748) is 2-[(Z,3Z)-3-ethylidene-4-(3,3,3-trifluoropropyl)hept-4-enyl]oxolane.
What is the SMILES notation for 2-[(Z,3Z)-3-ethylidene-4-(3,3,3-trifluoropropyl)hept-4-enyl]oxolane?
The canonical SMILES for 2-[(Z,3Z)-3-ethylidene-4-(3,3,3-trifluoropropyl)hept-4-enyl]oxolane is C/C=C(CCC1CCCO1)\C(=C/CC)CCC(F)(F)F.
What is the InChIKey of 2-[(Z,3Z)-3-ethylidene-4-(3,3,3-trifluoropropyl)hept-4-enyl]oxolane?
The InChIKey is AMGQBTWYACSBNQ-ZOXWFQFWSA-N. The full InChI is InChI=1S/C16H25F3O/c1-3-6-14(10-11-16(17,18)19)13(4-2)8-9-15-7-5-12-20-15/h4,6,15H,3,5,7-12H2,1-2H3/b13-4-,14-6-.
What are the key properties of 2-[(Z,3Z)-3-ethylidene-4-(3,3,3-trifluoropropyl)hept-4-enyl]oxolane?
2-[(Z,3Z)-3-ethylidene-4-(3,3,3-trifluoropropyl)hept-4-enyl]oxolane has a molecular weight of 290.37 g/mol, XLogP of 5.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z,3Z)-3-ethylidene-4-(3,3,3-trifluoropropyl)hept-4-enyl]oxolane is sourced from PubChem (CID 129154748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).