1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane

C10H16ClF3O — CID 66035097

IUPAC1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane
SMILESFC(F)(F)COCCCC1(CCl)CCC1
InChIInChI=1S/C10H16ClF3O/c11-7-9(3-1-4-9)5-2-6-15-8-10(12,13)14/h1-8H2
InChIKeyCSPNFWHZMNGNQZ-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.75
Rot. Bonds6

About 1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane

1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane (PubChem CID 66035097) has the molecular formula C10H16ClF3O and a molecular weight of 244.68 g/mol. Its IUPAC name is 1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane.

Molecular Properties

Compound Name1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane
PubChem CID66035097
Molecular FormulaC10H16ClF3O
Molecular Weight244.68 g/mol
Exact Mass244.08
IUPAC Name1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane
SMILESFC(F)(F)COCCCC1(CCl)CCC1
InChIInChI=1S/C10H16ClF3O/c11-7-9(3-1-4-9)5-2-6-15-8-10(12,13)14/h1-8H2
InChIKeyCSPNFWHZMNGNQZ-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane?
The IUPAC name of 1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane (CID 66035097) is 1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane.
What is the SMILES notation for 1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane?
The canonical SMILES for 1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane is FC(F)(F)COCCCC1(CCl)CCC1.
What is the InChIKey of 1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane?
The InChIKey is CSPNFWHZMNGNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF3O/c11-7-9(3-1-4-9)5-2-6-15-8-10(12,13)14/h1-8H2.
What are the key properties of 1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane?
1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane has a molecular weight of 244.68 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclobutane is sourced from PubChem (CID 66035097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).