1,1-dimethyl-2-(3,3,3-trifluoroprop-1-ynyl)cyclopropane

C8H9F3 — CID 141179761

IUPAC1,1-dimethyl-2-(3,3,3-trifluoroprop-1-ynyl)cyclopropane
SMILESCC1(C)CC1C#CC(F)(F)F
InChIInChI=1S/C8H9F3/c1-7(2)5-6(7)3-4-8(9,10)11/h6H,5H2,1-2H3
InChIKeyWLOBGCPBSOXEDG-UHFFFAOYSA-N
MW162.15 g/mol
LogP2.60
Rot. Bonds

About 1,1-dimethyl-2-(3,3,3-trifluoroprop-1-ynyl)cyclopropane

1,1-dimethyl-2-(3,3,3-trifluoroprop-1-ynyl)cyclopropane (PubChem CID 141179761) has the molecular formula C8H9F3 and a molecular weight of 162.15 g/mol. Its IUPAC name is 1,1-dimethyl-2-(3,3,3-trifluoroprop-1-ynyl)cyclopropane.

Molecular Properties

Compound Name1,1-dimethyl-2-(3,3,3-trifluoroprop-1-ynyl)cyclopropane
PubChem CID141179761
Molecular FormulaC8H9F3
Molecular Weight162.15 g/mol
Exact Mass162.07
IUPAC Name1,1-dimethyl-2-(3,3,3-trifluoroprop-1-ynyl)cyclopropane
SMILESCC1(C)CC1C#CC(F)(F)F
InChIInChI=1S/C8H9F3/c1-7(2)5-6(7)3-4-8(9,10)11/h6H,5H2,1-2H3
InChIKeyWLOBGCPBSOXEDG-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(Difluoromethyl)-1,1-dimethylcyclopropane
CID 132092316
1,1-Difluoro-2,2,3-trimethyl-cyclopropane
CID 569328
cis-(1S,3S)-1-fluoro-1-hex-1-ynyl-2,2,3-trimethylcyclopropane
CID 134933683
trans-(1R,3S)-1-fluoro-1-hex-1-ynyl-2,2,3-trimethylcyclopropane
CID 134986127
1-Fluoro-1-hex-1-ynyl-2,2-dimethyl-cyclopropane
CID 6424237
5,5-Dimethyl-4-(trifluoromethyl)hex-1-yne
CID 57881321
2-Tert-butyl-1,1-difluorocyclopropane
CID 59722605
1-Ethyl-2,2-difluoro-1-propan-2-ylcyclopropane
CID 89275697
1-(Difluoromethyl)-1,2-dimethylcyclopropane
CID 89930452
1,2-Dimethyl-1-(trifluoromethyl)cyclopropane
CID 89930455
1-(1,1-Difluoroethyl)-1-propan-2-ylcyclopropane
CID 89981250
1-Ethyl-2,2,3-trifluoro-1-propan-2-ylcyclopropane
CID 121274136

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-(3,3,3-trifluoroprop-1-ynyl)cyclopropane?
The IUPAC name of 1,1-dimethyl-2-(3,3,3-trifluoroprop-1-ynyl)cyclopropane (CID 141179761) is 1,1-dimethyl-2-(3,3,3-trifluoroprop-1-ynyl)cyclopropane.
What is the SMILES notation for 1,1-dimethyl-2-(3,3,3-trifluoroprop-1-ynyl)cyclopropane?
The canonical SMILES for 1,1-dimethyl-2-(3,3,3-trifluoroprop-1-ynyl)cyclopropane is CC1(C)CC1C#CC(F)(F)F.
What is the InChIKey of 1,1-dimethyl-2-(3,3,3-trifluoroprop-1-ynyl)cyclopropane?
The InChIKey is WLOBGCPBSOXEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3/c1-7(2)5-6(7)3-4-8(9,10)11/h6H,5H2,1-2H3.
What are the key properties of 1,1-dimethyl-2-(3,3,3-trifluoroprop-1-ynyl)cyclopropane?
1,1-dimethyl-2-(3,3,3-trifluoroprop-1-ynyl)cyclopropane has a molecular weight of 162.15 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-(3,3,3-trifluoroprop-1-ynyl)cyclopropane is sourced from PubChem (CID 141179761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).