1-ethyl-2,2-difluoro-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane

C10H15F5 — CID 121274176

IUPAC1-ethyl-2,2-difluoro-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCCC1(C(C)C(F)(F)F)C(C)(C)C1(F)F
InChIInChI=1S/C10H15F5/c1-5-8(6(2)9(11,12)13)7(3,4)10(8,14)15/h6H,5H2,1-4H3
InChIKeyZDCOQAPXMMPQIO-UHFFFAOYSA-N
MW230.22 g/mol
LogP4.26
Rot. Bonds2

About 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane

1-ethyl-2,2-difluoro-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane (PubChem CID 121274176) has the molecular formula C10H15F5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-2,2-difluoro-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
PubChem CID121274176
Molecular FormulaC10H15F5
Molecular Weight230.22 g/mol
Exact Mass230.11
IUPAC Name1-ethyl-2,2-difluoro-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCCC1(C(C)C(F)(F)F)C(C)(C)C1(F)F
InChIInChI=1S/C10H15F5/c1-5-8(6(2)9(11,12)13)7(3,4)10(8,14)15/h6H,5H2,1-4H3
InChIKeyZDCOQAPXMMPQIO-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane
CID 121274032
1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121274151
1,1-dibromo-2-methyl-2-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273998
1,1-diethyl-2,2-difluoro-3,3-dimethylcyclopropane
CID 121274118
ethane;1,1,1-trifluoro-2-methylpropane
CID 155727070
fluoromethane;2-methylpropane;1,1,1-trifluoropropane
CID 161219441
1,1-difluoro-2,2,3,3-tetramethylcyclopropane
CID 576606
1,1,1-trifluoropropan-2-ylphosphane
CID 174317925
2-(2,2-dimethylpropyl)-1-methyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121273970
3-bromo-1,1,1-trifluoro-2-methylpropane
CID 71756869
methane;bis(1,1,1-trifluoro-2-methylbutane)
CID 161468876
ethane;1,1,1,7,7,7-hexafluoro-4-methylheptane
CID 169212435

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The IUPAC name of 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane (CID 121274176) is 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane.
What is the SMILES notation for 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The canonical SMILES for 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane is CCC1(C(C)C(F)(F)F)C(C)(C)C1(F)F.
What is the InChIKey of 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The InChIKey is ZDCOQAPXMMPQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F5/c1-5-8(6(2)9(11,12)13)7(3,4)10(8,14)15/h6H,5H2,1-4H3.
What are the key properties of 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
1-ethyl-2,2-difluoro-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane has a molecular weight of 230.22 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,2-difluoro-3,3-dimethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane is sourced from PubChem (CID 121274176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).