1,1-diethyl-2,2-bis(trifluoromethyl)cyclopropane

C9H12F6 — CID 121274265

IUPAC1,1-diethyl-2,2-bis(trifluoromethyl)cyclopropane
SMILESCCC1(CC)CC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6/c1-3-6(4-2)5-7(6,8(10,11)12)9(13,14)15/h3-5H2,1-2H3
InChIKeyHHXPEJKELRQYFJ-UHFFFAOYSA-N
MW234.18 g/mol
LogP4.31
Rot. Bonds2

About 1,1-diethyl-2,2-bis(trifluoromethyl)cyclopropane

1,1-diethyl-2,2-bis(trifluoromethyl)cyclopropane (PubChem CID 121274265) has the molecular formula C9H12F6 and a molecular weight of 234.18 g/mol. Its IUPAC name is 1,1-diethyl-2,2-bis(trifluoromethyl)cyclopropane.

Molecular Properties

Compound Name1,1-diethyl-2,2-bis(trifluoromethyl)cyclopropane
PubChem CID121274265
Molecular FormulaC9H12F6
Molecular Weight234.18 g/mol
Exact Mass234.08
IUPAC Name1,1-diethyl-2,2-bis(trifluoromethyl)cyclopropane
SMILESCCC1(CC)CC1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H12F6/c1-3-6(4-2)5-7(6,8(10,11)12)9(13,14)15/h3-5H2,1-2H3
InChIKeyHHXPEJKELRQYFJ-UHFFFAOYSA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1,2-triethyl-2-(trifluoromethyl)cyclopropane
CID 121274019
1-ethyl-2,2-difluoro-1-(trifluoromethyl)cyclopropane
CID 121274020
2-ethyl-2-(trifluoromethyl)oxirane
CID 23233498
1-butan-2-yl-3,3-difluoro-1-(trifluoromethyl)cyclobutane
CID 146382834
1-ethyl-2-propan-2-yl-1-(trifluoromethyl)cyclopropane
CID 121274010
1-butan-2-yl-1-(trifluoromethyl)cyclopropane
CID 146393264
1-ethyl-3,3-difluorocyclobutan-1-amine
CID 115011285
1-ethyl-2,2-difluoro-3,3-dimethyl-1-(trifluoromethyl)cyclopropane
CID 121274032
1-ethyl-2,2-difluoro-1-propan-2-ylcyclopropane
CID 89275697
1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
CID 121274151
2,2-dimethyl-1-(trifluoromethyl)cyclopropan-1-amine
CID 83681982
3-(3,4-dimethylphenyl)-3-ethyl-1-(trifluoromethyl)cyclopentan-1-ol
CID 83960319

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2,2-bis(trifluoromethyl)cyclopropane?
The IUPAC name of 1,1-diethyl-2,2-bis(trifluoromethyl)cyclopropane (CID 121274265) is 1,1-diethyl-2,2-bis(trifluoromethyl)cyclopropane.
What is the SMILES notation for 1,1-diethyl-2,2-bis(trifluoromethyl)cyclopropane?
The canonical SMILES for 1,1-diethyl-2,2-bis(trifluoromethyl)cyclopropane is CCC1(CC)CC1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1-diethyl-2,2-bis(trifluoromethyl)cyclopropane?
The InChIKey is HHXPEJKELRQYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F6/c1-3-6(4-2)5-7(6,8(10,11)12)9(13,14)15/h3-5H2,1-2H3.
What are the key properties of 1,1-diethyl-2,2-bis(trifluoromethyl)cyclopropane?
1,1-diethyl-2,2-bis(trifluoromethyl)cyclopropane has a molecular weight of 234.18 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2,2-bis(trifluoromethyl)cyclopropane is sourced from PubChem (CID 121274265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).