1,1-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane

C11H19F3 — CID 121273937

IUPAC1,1-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCCC1(CC)C(C)C1C(C)C(F)(F)F
InChIInChI=1S/C11H19F3/c1-5-10(6-2)7(3)9(10)8(4)11(12,13)14/h7-9H,5-6H2,1-4H3
InChIKeyHCSZNTJDCUPMSJ-UHFFFAOYSA-N
MW208.27 g/mol
LogP4.26
Rot. Bonds3

About 1,1-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane

1,1-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane (PubChem CID 121273937) has the molecular formula C11H19F3 and a molecular weight of 208.27 g/mol. Its IUPAC name is 1,1-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane.

Molecular Properties

Compound Name1,1-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
PubChem CID121273937
Molecular FormulaC11H19F3
Molecular Weight208.27 g/mol
Exact Mass208.14
IUPAC Name1,1-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCCC1(CC)C(C)C1C(C)C(F)(F)F
InChIInChI=1S/C11H19F3/c1-5-10(6-2)7(3)9(10)8(4)11(12,13)14/h7-9H,5-6H2,1-4H3
InChIKeyHCSZNTJDCUPMSJ-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.27
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The IUPAC name of 1,1-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane (CID 121273937) is 1,1-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane.
What is the SMILES notation for 1,1-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The canonical SMILES for 1,1-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane is CCC1(CC)C(C)C1C(C)C(F)(F)F.
What is the InChIKey of 1,1-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The InChIKey is HCSZNTJDCUPMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3/c1-5-10(6-2)7(3)9(10)8(4)11(12,13)14/h7-9H,5-6H2,1-4H3.
What are the key properties of 1,1-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane?
1,1-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane has a molecular weight of 208.27 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-2-methyl-3-(1,1,1-trifluoropropan-2-yl)cyclopropane is sourced from PubChem (CID 121273937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).