2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane

C9H15F3 — CID 121274055

IUPAC2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane
SMILESCC(C)C1(C(F)(F)F)C(C)C1C
InChIInChI=1S/C9H15F3/c1-5(2)8(9(10,11)12)6(3)7(8)4/h5-7H,1-4H3
InChIKeyFJFXQTBPIOYHEP-UHFFFAOYSA-N
MW180.21 g/mol
LogP3.48
Rot. Bonds1

About 2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane

2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane (PubChem CID 121274055) has the molecular formula C9H15F3 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane
PubChem CID121274055
Molecular FormulaC9H15F3
Molecular Weight180.21 g/mol
Exact Mass180.11
IUPAC Name2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane
SMILESCC(C)C1(C(F)(F)F)C(C)C1C
InChIInChI=1S/C9H15F3/c1-5(2)8(9(10,11)12)6(3)7(8)4/h5-7H,1-4H3
InChIKeyFJFXQTBPIOYHEP-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-Butyl-1,1-difluoro-2,2-dimethylcyclopropane
CID 132918858
2-(Difluoromethyl)-1,1-dimethylcyclopropane
CID 132092316
1,1-Difluoro-2,2,3-trimethyl-cyclopropane
CID 569328
1-Propyl-1-(trifluoromethyl)cyclopropane
CID 68096317
2,3-Dimethyl-1,1-bis(trifluoromethyl)cyclopropane
CID 74023411
3-Ethyl-1,1-difluoro-2,2-dimethylcyclopropane
CID 121273882
1,3-Diethyl-2,2-difluoro-1-methylcyclopropane
CID 18684549
1-Ethyl-2,2-difluoro-1,3-dimethylcyclopropane
CID 18684620
2,2,5,5-Tetramethyl-3-(trifluoromethyl)hexane
CID 20625080
3-Ethyl-1,1,1,4,4,5-hexafluoro-2,3-bis(trifluoromethyl)pentane
CID 20633699
1,1,1,2,2,3,3,4-Octafluoro-4,5,5-trimethylhexane
CID 23049362
1,1,1-Trifluoro-2,2,3-tris(trifluoromethyl)hexane
CID 54178514

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane?
The IUPAC name of 2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane (CID 121274055) is 2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane.
What is the SMILES notation for 2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane?
The canonical SMILES for 2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane is CC(C)C1(C(F)(F)F)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane?
The InChIKey is FJFXQTBPIOYHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3/c1-5(2)8(9(10,11)12)6(3)7(8)4/h5-7H,1-4H3.
What are the key properties of 2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane?
2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane has a molecular weight of 180.21 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-propan-2-yl-1-(trifluoromethyl)cyclopropane is sourced from PubChem (CID 121274055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).