1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane

C10H16ClF3O — CID 106798516

IUPAC1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane
SMILESCC(Cl)C1(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C10H16ClF3O/c1-8(11)9(4-5-9)3-2-6-15-7-10(12,13)14/h8H,2-7H2,1H3
InChIKeyQXORSZHGHCJMGW-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.75
Rot. Bonds6

About 1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane

1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane (PubChem CID 106798516) has the molecular formula C10H16ClF3O and a molecular weight of 244.68 g/mol. Its IUPAC name is 1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane.

Molecular Properties

Compound Name1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane
PubChem CID106798516
Molecular FormulaC10H16ClF3O
Molecular Weight244.68 g/mol
Exact Mass244.08
IUPAC Name1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane
SMILESCC(Cl)C1(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C10H16ClF3O/c1-8(11)9(4-5-9)3-2-6-15-7-10(12,13)14/h8H,2-7H2,1H3
InChIKeyQXORSZHGHCJMGW-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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Related Compounds

N-ethyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]ethanamine
CID 106797855
1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropyl]ethanol
CID 106798292
N-[(1-propan-2-ylcyclopropyl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 114113640
[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol
CID 66023665
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
1-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine
CID 62622346
4-bromo-1-(2,2,2-trifluoroethoxy)pentane
CID 54772582
1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile
CID 65379316
1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid
CID 62738365
1-(1-bromoethyl)-1-[3-(2-methoxyethoxy)propyl]cyclopropane
CID 106798673
1-(1-chloroethyl)-1-(3-ethylsulfanylpropyl)cyclopropane
CID 106798392
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039

Frequently Asked Questions

What is the IUPAC name of 1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane?
The IUPAC name of 1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane (CID 106798516) is 1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane.
What is the SMILES notation for 1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane?
The canonical SMILES for 1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane is CC(Cl)C1(CCCOCC(F)(F)F)CC1.
What is the InChIKey of 1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane?
The InChIKey is QXORSZHGHCJMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF3O/c1-8(11)9(4-5-9)3-2-6-15-7-10(12,13)14/h8H,2-7H2,1H3.
What are the key properties of 1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane?
1-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane 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-(1-chloroethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropane is sourced from PubChem (CID 106798516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).