4-but-3-enyl-1,1,2,6-tetrafluorocyclohexane

C10H14F4 — CID 57094785

IUPAC4-but-3-enyl-1,1,2,6-tetrafluorocyclohexane
SMILESC=CCCC1CC(F)C(F)(F)C(F)C1
InChIInChI=1S/C10H14F4/c1-2-3-4-7-5-8(11)10(13,14)9(12)6-7/h2,7-9H,1,3-6H2
InChIKeyZUQGOCRJZMWAKD-UHFFFAOYSA-N
MW210.21 g/mol
LogP3.67
Rot. Bonds3

About 4-but-3-enyl-1,1,2,6-tetrafluorocyclohexane

4-but-3-enyl-1,1,2,6-tetrafluorocyclohexane (PubChem CID 57094785) has the molecular formula C10H14F4 and a molecular weight of 210.21 g/mol. Its IUPAC name is 4-but-3-enyl-1,1,2,6-tetrafluorocyclohexane.

Molecular Properties

Compound Name4-but-3-enyl-1,1,2,6-tetrafluorocyclohexane
PubChem CID57094785
Molecular FormulaC10H14F4
Molecular Weight210.21 g/mol
Exact Mass210.10
IUPAC Name4-but-3-enyl-1,1,2,6-tetrafluorocyclohexane
SMILESC=CCCC1CC(F)C(F)(F)C(F)C1
InChIInChI=1S/C10H14F4/c1-2-3-4-7-5-8(11)10(13,14)9(12)6-7/h2,7-9H,1,3-6H2
InChIKeyZUQGOCRJZMWAKD-UHFFFAOYSA-N
XLogP3.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-1,1,2,6-tetrafluorocyclohexane?
The IUPAC name of 4-but-3-enyl-1,1,2,6-tetrafluorocyclohexane (CID 57094785) is 4-but-3-enyl-1,1,2,6-tetrafluorocyclohexane.
What is the SMILES notation for 4-but-3-enyl-1,1,2,6-tetrafluorocyclohexane?
The canonical SMILES for 4-but-3-enyl-1,1,2,6-tetrafluorocyclohexane is C=CCCC1CC(F)C(F)(F)C(F)C1.
What is the InChIKey of 4-but-3-enyl-1,1,2,6-tetrafluorocyclohexane?
The InChIKey is ZUQGOCRJZMWAKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F4/c1-2-3-4-7-5-8(11)10(13,14)9(12)6-7/h2,7-9H,1,3-6H2.
What are the key properties of 4-but-3-enyl-1,1,2,6-tetrafluorocyclohexane?
4-but-3-enyl-1,1,2,6-tetrafluorocyclohexane has a molecular weight of 210.21 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-1,1,2,6-tetrafluorocyclohexane is sourced from PubChem (CID 57094785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).