1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane

C10H16ClF3O — CID 66035800

IUPAC1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane
SMILESFC(F)(F)COCCC1(CCl)CCCC1
InChIInChI=1S/C10H16ClF3O/c11-7-9(3-1-2-4-9)5-6-15-8-10(12,13)14/h1-8H2
InChIKeyIAWHIPCNIXBXEE-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.75
Rot. Bonds5

About 1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane

1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane (PubChem CID 66035800) has the molecular formula C10H16ClF3O and a molecular weight of 244.68 g/mol. Its IUPAC name is 1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane.

Molecular Properties

Compound Name1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane
PubChem CID66035800
Molecular FormulaC10H16ClF3O
Molecular Weight244.68 g/mol
Exact Mass244.08
IUPAC Name1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane
SMILESFC(F)(F)COCCC1(CCl)CCCC1
InChIInChI=1S/C10H16ClF3O/c11-7-9(3-1-2-4-9)5-6-15-8-10(12,13)14/h1-8H2
InChIKeyIAWHIPCNIXBXEE-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-[3-Chloropropoxy(difluoro)methyl]-1-(trifluoromethyl)cyclohexane
CID 11323877
5-Chloro-6,6-dimethyl-1-(2,2,2-trifluoroethoxy)heptane
CID 61732261
1-Chloro-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane
CID 61734701
1-Chloro-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
CID 61735097
5-Chloro-4-methyl-1-(2,2,2-trifluoroethoxy)heptane
CID 63560127
6-Chloro-7,7-dimethyl-1-(2,2,2-trifluoroethoxy)octane
CID 64508910
1-Chloro-3-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
CID 64515673
6-Chloro-4,4-dimethyl-1-(2,2,2-trifluoroethoxy)heptane
CID 64716847
6-Chloro-4-methyl-1-(2,2,2-trifluoroethoxy)heptane
CID 64720359
1-(Chloromethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane
CID 66033563
4-(Chloromethyl)-4-ethyl-1-(2,2,2-trifluoroethoxy)hexane
CID 66033816
3-(Chloromethyl)-3-ethyl-1-(2,2,2-trifluoroethoxy)heptane
CID 66034253

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane?
The IUPAC name of 1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane (CID 66035800) is 1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane.
What is the SMILES notation for 1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane?
The canonical SMILES for 1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane is FC(F)(F)COCCC1(CCl)CCCC1.
What is the InChIKey of 1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane?
The InChIKey is IAWHIPCNIXBXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF3O/c11-7-9(3-1-2-4-9)5-6-15-8-10(12,13)14/h1-8H2.
What are the key properties of 1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane?
1-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]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-(chloromethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentane is sourced from PubChem (CID 66035800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).