3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol

C9H15F3O2 — CID 82789504

IUPAC3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol
SMILESOC1CCC(OCCCC(F)(F)F)C1
InChIInChI=1S/C9H15F3O2/c10-9(11,12)4-1-5-14-8-3-2-7(13)6-8/h7-8,13H,1-6H2
InChIKeyXRUKHMNJDQLQPF-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.26
Rot. Bonds4

About 3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol

3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol (PubChem CID 82789504) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol
PubChem CID82789504
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol
SMILESOC1CCC(OCCCC(F)(F)F)C1
InChIInChI=1S/C9H15F3O2/c10-9(11,12)4-1-5-14-8-3-2-7(13)6-8/h7-8,13H,1-6H2
InChIKeyXRUKHMNJDQLQPF-UHFFFAOYSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-bromo-3-(4,4,4-trifluorobutoxy)cyclobutane
CID 82795388
3-[3-(2-methoxyethoxy)propoxy]cyclopentan-1-ol
CID 103404372
3-(3-phenylpropoxy)cyclopentan-1-ol
CID 79632249
2-(4,4,4-trifluorobutoxy)cycloheptan-1-ol
CID 82789994
N-propyl-3-(4,4,4-trifluorobutoxy)cyclohexan-1-amine
CID 82789902
9-(4,4,4-trifluorobutoxy)nonan-1-ol
CID 22407961
3-(3-methoxypropoxy)cyclohexan-1-ol
CID 79619447
3-tetradecoxycyclohexan-1-ol
CID 173215393
1,1,1-trifluoro-4-(4,4,4-trifluorobutoxy)butane
CID 22483429
3-(methoxymethoxy)cyclopentan-1-ol
CID 91618356
3-(2-methylpropoxy)cyclopentan-1-ol
CID 18953130
2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane
CID 160655550

Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol?
The IUPAC name of 3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol (CID 82789504) is 3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol.
What is the SMILES notation for 3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol?
The canonical SMILES for 3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol is OC1CCC(OCCCC(F)(F)F)C1.
What is the InChIKey of 3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol?
The InChIKey is XRUKHMNJDQLQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2/c10-9(11,12)4-1-5-14-8-3-2-7(13)6-8/h7-8,13H,1-6H2.
What are the key properties of 3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol?
3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol has a molecular weight of 212.21 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutoxy)cyclopentan-1-ol is sourced from PubChem (CID 82789504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).