1-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane

C10H16ClF3O — CID 64515673

IUPAC1-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
SMILESFC(F)(F)COCCCC1CCC(Cl)C1
InChIInChI=1S/C10H16ClF3O/c11-9-4-3-8(6-9)2-1-5-15-7-10(12,13)14/h8-9H,1-7H2
InChIKeyZCPFHKVKSVSXRS-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.75
Rot. Bonds5

About 1-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane

1-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane (PubChem CID 64515673) has the molecular formula C10H16ClF3O and a molecular weight of 244.68 g/mol. Its IUPAC name is 1-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane.

Molecular Properties

Compound Name1-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
PubChem CID64515673
Molecular FormulaC10H16ClF3O
Molecular Weight244.68 g/mol
Exact Mass244.08
IUPAC Name1-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
SMILESFC(F)(F)COCCCC1CCC(Cl)C1
InChIInChI=1S/C10H16ClF3O/c11-9-4-3-8(6-9)2-1-5-15-7-10(12,13)14/h8-9H,1-7H2
InChIKeyZCPFHKVKSVSXRS-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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

1-Chloro-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptane
CID 61732480
1-Chloro-2-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptane
CID 61732681
1-Chloro-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane
CID 61733290
1-Chloro-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane
CID 61733293
1-Chloro-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane
CID 61734701
1-Chloro-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
CID 61735097
[1-Chloro-5-(2,2,2-trifluoroethoxy)pentyl]cyclopropane
CID 63358356
5-Chloro-4-methyl-1-(2,2,2-trifluoroethoxy)heptane
CID 63560127
1-Chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptane
CID 64507072
[1-Chloro-6-(2,2,2-trifluoroethoxy)hexyl]cyclopropane
CID 64507324
6-Chloro-7-methyl-1-(2,2,2-trifluoroethoxy)octane
CID 64509560
1-Chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexane
CID 64516156

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane?
The IUPAC name of 1-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane (CID 64515673) is 1-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane.
What is the SMILES notation for 1-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane?
The canonical SMILES for 1-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane is FC(F)(F)COCCCC1CCC(Cl)C1.
What is the InChIKey of 1-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane?
The InChIKey is ZCPFHKVKSVSXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF3O/c11-9-4-3-8(6-9)2-1-5-15-7-10(12,13)14/h8-9H,1-7H2.
What are the key properties of 1-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane?
1-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane has a molecular weight of 244.68 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane is sourced from PubChem (CID 64515673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).