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

C11H17F3O3 — CID 62738365

IUPAC1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CCCOCC(F)(F)F)CCCC1
InChIInChI=1S/C11H17F3O3/c12-11(13,14)8-17-7-3-6-10(9(15)16)4-1-2-5-10/h1-8H2,(H,15,16)
InChIKeyCZUHHHGPPYQVSA-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.99
Rot. Bonds6

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

1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid (PubChem CID 62738365) has the molecular formula C11H17F3O3 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid
PubChem CID62738365
Molecular FormulaC11H17F3O3
Molecular Weight254.25 g/mol
Exact Mass254.11
IUPAC Name1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CCCOCC(F)(F)F)CCCC1
InChIInChI=1S/C11H17F3O3/c12-11(13,14)8-17-7-3-6-10(9(15)16)4-1-2-5-10/h1-8H2,(H,15,16)
InChIKeyCZUHHHGPPYQVSA-UHFFFAOYSA-N
XLogP2.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methoxyethoxy)propyl]cyclopentane-1-carboxylic acid
CID 103410978
3-ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid
CID 65408887
[1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopropyl]methanol
CID 66023665
1-[3-(2-methoxyethoxy)propyl]cyclopropane-1-carboxylic acid
CID 103410994
1-[5-(1-carboxycyclopentyl)pentyl]cyclopentane-1-carboxylic acid
CID 54469920
1-[2-(3-methoxypropoxy)ethyl]cyclopentane-1-carboxylic acid
CID 103181465
1-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine
CID 62622346
1-[5-(1-carboxycyclohexyl)pentyl]cyclohexane-1-carboxylic acid
CID 19090977
1-[5-[2-(1-carboxycyclopropyl)ethoxy]pentyl]cyclopropane-1-carboxylic acid
CID 155771087
1-[4-(2-hydroxyethoxy)butyl]cyclopropane-1-carboxylic acid
CID 70523379
1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carbonitrile
CID 65379316
1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid
CID 150208157

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid (CID 62738365) is 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid is O=C(O)C1(CCCOCC(F)(F)F)CCCC1.
What is the InChIKey of 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid?
The InChIKey is CZUHHHGPPYQVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O3/c12-11(13,14)8-17-7-3-6-10(9(15)16)4-1-2-5-10/h1-8H2,(H,15,16).
What are the key properties of 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid?
1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62738365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).