1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane

C11H18F4 — CID 166923633

IUPAC1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane
SMILESCCCC1CC1(F)C(C)(CC)C(F)(F)F
InChIInChI=1S/C11H18F4/c1-4-6-8-7-10(8,12)9(3,5-2)11(13,14)15/h8H,4-7H2,1-3H3
InChIKeyVKNASOAPFYYICA-UHFFFAOYSA-N
MW226.26 g/mol
LogP4.49
Rot. Bonds4

About 1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane

1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane (PubChem CID 166923633) has the molecular formula C11H18F4 and a molecular weight of 226.26 g/mol. Its IUPAC name is 1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane.

Molecular Properties

Compound Name1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane
PubChem CID166923633
Molecular FormulaC11H18F4
Molecular Weight226.26 g/mol
Exact Mass226.13
IUPAC Name1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane
SMILESCCCC1CC1(F)C(C)(CC)C(F)(F)F
InChIInChI=1S/C11H18F4/c1-4-6-8-7-10(8,12)9(3,5-2)11(13,14)15/h8H,4-7H2,1-3H3
InChIKeyVKNASOAPFYYICA-UHFFFAOYSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane?
The IUPAC name of 1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane (CID 166923633) is 1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane.
What is the SMILES notation for 1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane?
The canonical SMILES for 1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane is CCCC1CC1(F)C(C)(CC)C(F)(F)F.
What is the InChIKey of 1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane?
The InChIKey is VKNASOAPFYYICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F4/c1-4-6-8-7-10(8,12)9(3,5-2)11(13,14)15/h8H,4-7H2,1-3H3.
What are the key properties of 1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane?
1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane has a molecular weight of 226.26 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-propyl-1-(1,1,1-trifluoro-2-methylbutan-2-yl)cyclopropane is sourced from PubChem (CID 166923633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).