N-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine

C5H8F3NOS — CID 155122293

IUPACN-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine
SMILESFC(F)(F)OC1CC(NS)C1
InChIInChI=1S/C5H8F3NOS/c6-5(7,8)10-4-1-3(2-4)9-11/h3-4,9,11H,1-2H2
InChIKeyPUUIZZCWJIHSRU-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.49
Rot. Bonds2

About N-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine

N-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine (PubChem CID 155122293) has the molecular formula C5H8F3NOS and a molecular weight of 187.19 g/mol. Its IUPAC name is N-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine.

Molecular Properties

Compound NameN-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine
PubChem CID155122293
Molecular FormulaC5H8F3NOS
Molecular Weight187.19 g/mol
Exact Mass187.03
IUPAC NameN-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine
SMILESFC(F)(F)OC1CC(NS)C1
InChIInChI=1S/C5H8F3NOS/c6-5(7,8)10-4-1-3(2-4)9-11/h3-4,9,11H,1-2H2
InChIKeyPUUIZZCWJIHSRU-UHFFFAOYSA-N
XLogP1.49
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(1s,3s)-3-(Difluoromethoxy)cyclobutan-1-amine
CID 114782804
(1r,3r)-3-(Trifluoromethoxy)cyclobutan-1-amine hydrochloride
CID 146082149
3-(2,2-Difluoroethoxy)cyclobutan-1-amine;hydrochloride
CID 177801171
(1r,3r)-3-(2,2-Difluoroethoxy)cyclobutan-1-amine
CID 65981548
(1r,3r)-3-(2-Fluoroethoxy)cyclobutan-1-amine
CID 80696590
cis-3-(Trifluoromethoxy)cyclobutanamine
CID 146082150
trans-(1S,2S)-2-(difluoromethoxy)cyclobutan-1-amine
CID 171055967
trans-(1R,2R)-2-(difluoromethoxy)cyclobutan-1-amine
CID 177200227
3-Cyclobutyloxy-4,4,4-trifluorobutan-1-amine
CID 62115600
3-(3,3,3-Trifluoropropoxy)cyclobutan-1-amine
CID 65980915
3-[2-(Trifluoromethoxy)ethoxy]cyclobutan-1-amine
CID 65981999
trans-3-(2,2,2-Trifluoro-ethoxy)-cyclobutylamine
CID 65982832

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine?
The IUPAC name of N-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine (CID 155122293) is N-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine.
What is the SMILES notation for N-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine?
The canonical SMILES for N-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine is FC(F)(F)OC1CC(NS)C1.
What is the InChIKey of N-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine?
The InChIKey is PUUIZZCWJIHSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NOS/c6-5(7,8)10-4-1-3(2-4)9-11/h3-4,9,11H,1-2H2.
What are the key properties of N-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine?
N-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine has a molecular weight of 187.19 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethoxy)cyclobutyl]thiohydroxylamine is sourced from PubChem (CID 155122293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).