1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane

C8H12F4 — CID 121274151

IUPAC1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCCC1(C(C)C(F)(F)F)CC1F
InChIInChI=1S/C8H12F4/c1-3-7(4-6(7)9)5(2)8(10,11)12/h5-6H,3-4H2,1-2H3
InChIKeyLEBQSEASOAAFDP-UHFFFAOYSA-N
MW184.18 g/mol
LogP3.32
Rot. Bonds2

About 1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane

1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane (PubChem CID 121274151) has the molecular formula C8H12F4 and a molecular weight of 184.18 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane.

Molecular Properties

Compound Name1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
PubChem CID121274151
Molecular FormulaC8H12F4
Molecular Weight184.18 g/mol
Exact Mass184.09
IUPAC Name1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCCC1(C(C)C(F)(F)F)CC1F
InChIInChI=1S/C8H12F4/c1-3-7(4-6(7)9)5(2)8(10,11)12/h5-6H,3-4H2,1-2H3
InChIKeyLEBQSEASOAAFDP-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The IUPAC name of 1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane (CID 121274151) is 1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane.
What is the SMILES notation for 1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The canonical SMILES for 1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane is CCC1(C(C)C(F)(F)F)CC1F.
What is the InChIKey of 1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The InChIKey is LEBQSEASOAAFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4/c1-3-7(4-6(7)9)5(2)8(10,11)12/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane has a molecular weight of 184.18 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-1-(1,1,1-trifluoropropan-2-yl)cyclopropane is sourced from PubChem (CID 121274151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).