1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane

C10H17F3 — CID 121273921

IUPAC1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C1CC1C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H17F3/c1-6(10(11,12)13)7-5-8(7)9(2,3)4/h6-8H,5H2,1-4H3
InChIKeyUTBMGLHXONKMGQ-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.87
Rot. Bonds1

About 1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane

1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane (PubChem CID 121273921) has the molecular formula C10H17F3 and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane.

Molecular Properties

Compound Name1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
PubChem CID121273921
Molecular FormulaC10H17F3
Molecular Weight194.24 g/mol
Exact Mass194.13
IUPAC Name1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCC(C1CC1C(C)(C)C)C(F)(F)F
InChIInChI=1S/C10H17F3/c1-6(10(11,12)13)7-5-8(7)9(2,3)4/h6-8H,5H2,1-4H3
InChIKeyUTBMGLHXONKMGQ-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The IUPAC name of 1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane (CID 121273921) is 1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane.
What is the SMILES notation for 1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The canonical SMILES for 1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane is CC(C1CC1C(C)(C)C)C(F)(F)F.
What is the InChIKey of 1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The InChIKey is UTBMGLHXONKMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3/c1-6(10(11,12)13)7-5-8(7)9(2,3)4/h6-8H,5H2,1-4H3.
What are the key properties of 1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane?
1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane has a molecular weight of 194.24 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane is sourced from PubChem (CID 121273921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).