1-propan-2-yl-3-(trifluoromethyl)bicyclo[1.1.0]butane

C8H11F3 — CID 152926935

IUPAC1-propan-2-yl-3-(trifluoromethyl)bicyclo[1.1.0]butane
SMILESCC(C)C12CC1(C(F)(F)F)C2
InChIInChI=1S/C8H11F3/c1-5(2)6-3-7(6,4-6)8(9,10)11/h5H,3-4H2,1-2H3
InChIKeyUKEPCSFXRXEMEV-UHFFFAOYSA-N
MW164.17 g/mol
LogP2.98
Rot. Bonds1

About 1-propan-2-yl-3-(trifluoromethyl)bicyclo[1.1.0]butane

1-propan-2-yl-3-(trifluoromethyl)bicyclo[1.1.0]butane (PubChem CID 152926935) has the molecular formula C8H11F3 and a molecular weight of 164.17 g/mol. Its IUPAC name is 1-propan-2-yl-3-(trifluoromethyl)bicyclo[1.1.0]butane.

Molecular Properties

Compound Name1-propan-2-yl-3-(trifluoromethyl)bicyclo[1.1.0]butane
PubChem CID152926935
Molecular FormulaC8H11F3
Molecular Weight164.17 g/mol
Exact Mass164.08
IUPAC Name1-propan-2-yl-3-(trifluoromethyl)bicyclo[1.1.0]butane
SMILESCC(C)C12CC1(C(F)(F)F)C2
InChIInChI=1S/C8H11F3/c1-5(2)6-3-7(6,4-6)8(9,10)11/h5H,3-4H2,1-2H3
InChIKeyUKEPCSFXRXEMEV-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)bicyclo[1.1.0]butane?
The IUPAC name of 1-propan-2-yl-3-(trifluoromethyl)bicyclo[1.1.0]butane (CID 152926935) is 1-propan-2-yl-3-(trifluoromethyl)bicyclo[1.1.0]butane.
What is the SMILES notation for 1-propan-2-yl-3-(trifluoromethyl)bicyclo[1.1.0]butane?
The canonical SMILES for 1-propan-2-yl-3-(trifluoromethyl)bicyclo[1.1.0]butane is CC(C)C12CC1(C(F)(F)F)C2.
What is the InChIKey of 1-propan-2-yl-3-(trifluoromethyl)bicyclo[1.1.0]butane?
The InChIKey is UKEPCSFXRXEMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3/c1-5(2)6-3-7(6,4-6)8(9,10)11/h5H,3-4H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(trifluoromethyl)bicyclo[1.1.0]butane?
1-propan-2-yl-3-(trifluoromethyl)bicyclo[1.1.0]butane has a molecular weight of 164.17 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(trifluoromethyl)bicyclo[1.1.0]butane is sourced from PubChem (CID 152926935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).