1-(2,3-dimethylbut-3-enyl)-1-(1-fluoropropan-2-yl)cyclohexane

C15H27F — CID 166676168

IUPAC1-(2,3-dimethylbut-3-enyl)-1-(1-fluoropropan-2-yl)cyclohexane
SMILESC=C(C)C(C)CC1(C(C)CF)CCCCC1
InChIInChI=1S/C15H27F/c1-12(2)13(3)10-15(14(4)11-16)8-6-5-7-9-15/h13-14H,1,5-11H2,2-4H3
InChIKeyVETFUIYBBWRSIP-UHFFFAOYSA-N
MW226.38 g/mol
LogP5.14
Rot. Bonds5

About 1-(2,3-dimethylbut-3-enyl)-1-(1-fluoropropan-2-yl)cyclohexane

1-(2,3-dimethylbut-3-enyl)-1-(1-fluoropropan-2-yl)cyclohexane (PubChem CID 166676168) has the molecular formula C15H27F and a molecular weight of 226.38 g/mol. Its IUPAC name is 1-(2,3-dimethylbut-3-enyl)-1-(1-fluoropropan-2-yl)cyclohexane.

Molecular Properties

Compound Name1-(2,3-dimethylbut-3-enyl)-1-(1-fluoropropan-2-yl)cyclohexane
PubChem CID166676168
Molecular FormulaC15H27F
Molecular Weight226.38 g/mol
Exact Mass226.21
IUPAC Name1-(2,3-dimethylbut-3-enyl)-1-(1-fluoropropan-2-yl)cyclohexane
SMILESC=C(C)C(C)CC1(C(C)CF)CCCCC1
InChIInChI=1S/C15H27F/c1-12(2)13(3)10-15(14(4)11-16)8-6-5-7-9-15/h13-14H,1,5-11H2,2-4H3
InChIKeyVETFUIYBBWRSIP-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.38
LogP ≤ 55.14
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 1-(2,3-dimethylbut-3-enyl)-1-(1-fluoropropan-2-yl)cyclohexane?
The IUPAC name of 1-(2,3-dimethylbut-3-enyl)-1-(1-fluoropropan-2-yl)cyclohexane (CID 166676168) is 1-(2,3-dimethylbut-3-enyl)-1-(1-fluoropropan-2-yl)cyclohexane.
What is the SMILES notation for 1-(2,3-dimethylbut-3-enyl)-1-(1-fluoropropan-2-yl)cyclohexane?
The canonical SMILES for 1-(2,3-dimethylbut-3-enyl)-1-(1-fluoropropan-2-yl)cyclohexane is C=C(C)C(C)CC1(C(C)CF)CCCCC1.
What is the InChIKey of 1-(2,3-dimethylbut-3-enyl)-1-(1-fluoropropan-2-yl)cyclohexane?
The InChIKey is VETFUIYBBWRSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F/c1-12(2)13(3)10-15(14(4)11-16)8-6-5-7-9-15/h13-14H,1,5-11H2,2-4H3.
What are the key properties of 1-(2,3-dimethylbut-3-enyl)-1-(1-fluoropropan-2-yl)cyclohexane?
1-(2,3-dimethylbut-3-enyl)-1-(1-fluoropropan-2-yl)cyclohexane has a molecular weight of 226.38 g/mol, XLogP of 5.14, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbut-3-enyl)-1-(1-fluoropropan-2-yl)cyclohexane is sourced from PubChem (CID 166676168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).