[1-chloro-4-(2,2,2-trifluoroethoxy)butyl]cyclopropane

C9H14ClF3O — CID 63358310

IUPAC[1-chloro-4-(2,2,2-trifluoroethoxy)butyl]cyclopropane
SMILESFC(F)(F)COCCCC(Cl)C1CC1
InChIInChI=1S/C9H14ClF3O/c10-8(7-3-4-7)2-1-5-14-6-9(11,12)13/h7-8H,1-6H2
InChIKeyWNDVLILOVLVYCW-UHFFFAOYSA-N
MW230.66 g/mol
LogP3.36
Rot. Bonds6

About [1-chloro-4-(2,2,2-trifluoroethoxy)butyl]cyclopropane

[1-chloro-4-(2,2,2-trifluoroethoxy)butyl]cyclopropane (PubChem CID 63358310) has the molecular formula C9H14ClF3O and a molecular weight of 230.66 g/mol. Its IUPAC name is [1-chloro-4-(2,2,2-trifluoroethoxy)butyl]cyclopropane.

Molecular Properties

Compound Name[1-chloro-4-(2,2,2-trifluoroethoxy)butyl]cyclopropane
PubChem CID63358310
Molecular FormulaC9H14ClF3O
Molecular Weight230.66 g/mol
Exact Mass230.07
IUPAC Name[1-chloro-4-(2,2,2-trifluoroethoxy)butyl]cyclopropane
SMILESFC(F)(F)COCCCC(Cl)C1CC1
InChIInChI=1S/C9H14ClF3O/c10-8(7-3-4-7)2-1-5-14-6-9(11,12)13/h7-8H,1-6H2
InChIKeyWNDVLILOVLVYCW-UHFFFAOYSA-N
XLogP3.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 53.36
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-chloro-4-(2,2,2-trifluoroethoxy)butyl]cyclopropane?
The IUPAC name of [1-chloro-4-(2,2,2-trifluoroethoxy)butyl]cyclopropane (CID 63358310) is [1-chloro-4-(2,2,2-trifluoroethoxy)butyl]cyclopropane.
What is the SMILES notation for [1-chloro-4-(2,2,2-trifluoroethoxy)butyl]cyclopropane?
The canonical SMILES for [1-chloro-4-(2,2,2-trifluoroethoxy)butyl]cyclopropane is FC(F)(F)COCCCC(Cl)C1CC1.
What is the InChIKey of [1-chloro-4-(2,2,2-trifluoroethoxy)butyl]cyclopropane?
The InChIKey is WNDVLILOVLVYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF3O/c10-8(7-3-4-7)2-1-5-14-6-9(11,12)13/h7-8H,1-6H2.
What are the key properties of [1-chloro-4-(2,2,2-trifluoroethoxy)butyl]cyclopropane?
[1-chloro-4-(2,2,2-trifluoroethoxy)butyl]cyclopropane has a molecular weight of 230.66 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-chloro-4-(2,2,2-trifluoroethoxy)butyl]cyclopropane is sourced from PubChem (CID 63358310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).