2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol

C7H12F3NO2 — CID 82722134

IUPAC2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol
SMILESOC1CCCC1NOCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)4-13-11-5-2-1-3-6(5)12/h5-6,11-12H,1-4H2
InChIKeyUTXQLHQUYHEUGT-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.98
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol

2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol (PubChem CID 82722134) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol
PubChem CID82722134
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol
SMILESOC1CCCC1NOCC(F)(F)F
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)4-13-11-5-2-1-3-6(5)12/h5-6,11-12H,1-4H2
InChIKeyUTXQLHQUYHEUGT-UHFFFAOYSA-N
XLogP0.98
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2,2-trifluoroethoxy)cyclobutanamine
CID 82711029
trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol
CID 102733487
N-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 104927390
trans-(1R,2R)-2-(3,3,3-trifluoropropylamino)cyclopentan-1-ol
CID 102733446
3-methoxy-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82721769
2,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 82711561
N-(2,2,2-trifluoroethoxy)bicyclo[3.1.0]hexane-6-carboxamide
CID 81340909
tert-butyl 2-[2-(2,2,2-trifluoroethoxyamino)cyclopentyl]pyrrolidine-1-carboxylate
CID 113341796
2-[(2,2-difluoro-3-hydroxypropyl)amino]cyclopentan-1-ol
CID 106176943
2,4,4-trimethyl-N-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
CID 106662712
trans-(1R,2R)-2-(5,5,5-trifluoropentylamino)cyclohexan-1-ol
CID 102731534
trans-(1S,2S)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102732964

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol?
The IUPAC name of 2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol (CID 82722134) is 2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol?
The canonical SMILES for 2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol is OC1CCCC1NOCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol?
The InChIKey is UTXQLHQUYHEUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c8-7(9,10)4-13-11-5-2-1-3-6(5)12/h5-6,11-12H,1-4H2.
What are the key properties of 2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol?
2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol has a molecular weight of 199.17 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxyamino)cyclopentan-1-ol is sourced from PubChem (CID 82722134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).