1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane

C10H17F3 — CID 126660417

IUPAC1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane
SMILESCC(C)C(C)C1(C(F)(F)F)CCC1
InChIInChI=1S/C10H17F3/c1-7(2)8(3)9(5-4-6-9)10(11,12)13/h7-8H,4-6H2,1-3H3
InChIKeyOZYICBUCXZGTEU-UHFFFAOYSA-N
MW194.24 g/mol
LogP4.01
Rot. Bonds2

About 1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane

1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane (PubChem CID 126660417) has the molecular formula C10H17F3 and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane.

Molecular Properties

Compound Name1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane
PubChem CID126660417
Molecular FormulaC10H17F3
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane
SMILESCC(C)C(C)C1(C(F)(F)F)CCC1
InChIInChI=1S/C10H17F3/c1-7(2)8(3)9(5-4-6-9)10(11,12)13/h7-8H,4-6H2,1-3H3
InChIKeyOZYICBUCXZGTEU-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane?
The IUPAC name of 1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane (CID 126660417) is 1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane.
What is the SMILES notation for 1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane?
The canonical SMILES for 1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane is CC(C)C(C)C1(C(F)(F)F)CCC1.
What is the InChIKey of 1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane?
The InChIKey is OZYICBUCXZGTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3/c1-7(2)8(3)9(5-4-6-9)10(11,12)13/h7-8H,4-6H2,1-3H3.
What are the key properties of 1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane?
1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane has a molecular weight of 194.24 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclobutane is sourced from PubChem (CID 126660417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).