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

C10H16ClF3 — CID 121274152

IUPAC2-(2-chloroethyl)-1-ethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCCC1(C(C)C(F)(F)F)CC1CCCl
InChIInChI=1S/C10H16ClF3/c1-3-9(6-8(9)4-5-11)7(2)10(12,13)14/h7-8H,3-6H2,1-2H3
InChIKeyCDQBUXDZBLUPGJ-UHFFFAOYSA-N
MW228.68 g/mol
LogP4.23
Rot. Bonds4

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

2-(2-chloroethyl)-1-ethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane (PubChem CID 121274152) has the molecular formula C10H16ClF3 and a molecular weight of 228.68 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-ethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-ethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
PubChem CID121274152
Molecular FormulaC10H16ClF3
Molecular Weight228.68 g/mol
Exact Mass228.09
IUPAC Name2-(2-chloroethyl)-1-ethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane
SMILESCCC1(C(C)C(F)(F)F)CC1CCCl
InChIInChI=1S/C10H16ClF3/c1-3-9(6-8(9)4-5-11)7(2)10(12,13)14/h7-8H,3-6H2,1-2H3
InChIKeyCDQBUXDZBLUPGJ-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-ethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The IUPAC name of 2-(2-chloroethyl)-1-ethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane (CID 121274152) is 2-(2-chloroethyl)-1-ethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane.
What is the SMILES notation for 2-(2-chloroethyl)-1-ethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The canonical SMILES for 2-(2-chloroethyl)-1-ethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane is CCC1(C(C)C(F)(F)F)CC1CCCl.
What is the InChIKey of 2-(2-chloroethyl)-1-ethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
The InChIKey is CDQBUXDZBLUPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF3/c1-3-9(6-8(9)4-5-11)7(2)10(12,13)14/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1-ethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane?
2-(2-chloroethyl)-1-ethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane has a molecular weight of 228.68 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-ethyl-1-(1,1,1-trifluoropropan-2-yl)cyclopropane is sourced from PubChem (CID 121274152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).