6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane

C11H17F3 — CID 162573535

IUPAC6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane
SMILESCC(CCC1C2CCCC21)C(F)(F)F
InChIInChI=1S/C11H17F3/c1-7(11(12,13)14)5-6-10-8-3-2-4-9(8)10/h7-10H,2-6H2,1H3
InChIKeyFHCVGPKRJAGDOJ-UHFFFAOYSA-N
MW206.25 g/mol
LogP4.01
Rot. Bonds3

About 6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane

6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane (PubChem CID 162573535) has the molecular formula C11H17F3 and a molecular weight of 206.25 g/mol. Its IUPAC name is 6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane.

Molecular Properties

Compound Name6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane
PubChem CID162573535
Molecular FormulaC11H17F3
Molecular Weight206.25 g/mol
Exact Mass206.13
IUPAC Name6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane
SMILESCC(CCC1C2CCCC21)C(F)(F)F
InChIInChI=1S/C11H17F3/c1-7(11(12,13)14)5-6-10-8-3-2-4-9(8)10/h7-10H,2-6H2,1H3
InChIKeyFHCVGPKRJAGDOJ-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane?
The IUPAC name of 6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane (CID 162573535) is 6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane.
What is the SMILES notation for 6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane?
The canonical SMILES for 6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane is CC(CCC1C2CCCC21)C(F)(F)F.
What is the InChIKey of 6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane?
The InChIKey is FHCVGPKRJAGDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3/c1-7(11(12,13)14)5-6-10-8-3-2-4-9(8)10/h7-10H,2-6H2,1H3.
What are the key properties of 6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane?
6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane has a molecular weight of 206.25 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4,4-trifluoro-3-methylbutyl)bicyclo[3.1.0]hexane is sourced from PubChem (CID 162573535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).