[3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate

C19H24F3NO4 — CID 165144307

IUPAC[3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CC(Oc2cccc(C3(C(F)(F)F)CCO3)c2)C1
InChIInChI=1S/C19H24F3NO4/c1-17(2,3)23-16(24)27-15-10-14(11-15)26-13-6-4-5-12(9-13)18(7-8-25-18)19(20,21)22/h4-6,9,14-15H,7-8,10-11H2,1-3H3,(H,23,24)
InChIKeyLVZBNSFRDFQTLR-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.30
Rot. Bonds4

About [3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate

[3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate (PubChem CID 165144307) has the molecular formula C19H24F3NO4 and a molecular weight of 387.40 g/mol. Its IUPAC name is [3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate
PubChem CID165144307
Molecular FormulaC19H24F3NO4
Molecular Weight387.40 g/mol
Exact Mass387.17
IUPAC Name[3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CC(Oc2cccc(C3(C(F)(F)F)CCO3)c2)C1
InChIInChI=1S/C19H24F3NO4/c1-17(2,3)23-16(24)27-15-10-14(11-15)26-13-6-4-5-12(9-13)18(7-8-25-18)19(20,21)22/h4-6,9,14-15H,7-8,10-11H2,1-3H3,(H,23,24)
InChIKeyLVZBNSFRDFQTLR-UHFFFAOYSA-N
XLogP4.30
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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(3-sulfanylcyclobutyl) N-tert-butylcarbamate
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CID 62336910
[(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118547647
4-[1-[[4-(3-cyclohexyloxyphenyl)oxane-4-carbonyl]amino]ethyl]benzoic acid
CID 174186478
[3-[4-[2-[4-[[3-fluoro-6-(triazol-1-yl)-2-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate
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Frequently Asked Questions

What is the IUPAC name of [3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate?
The IUPAC name of [3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate (CID 165144307) is [3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate.
What is the SMILES notation for [3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate?
The canonical SMILES for [3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CC(Oc2cccc(C3(C(F)(F)F)CCO3)c2)C1.
What is the InChIKey of [3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate?
The InChIKey is LVZBNSFRDFQTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO4/c1-17(2,3)23-16(24)27-15-10-14(11-15)26-13-6-4-5-12(9-13)18(7-8-25-18)19(20,21)22/h4-6,9,14-15H,7-8,10-11H2,1-3H3,(H,23,24).
What are the key properties of [3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate?
[3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate has a molecular weight of 387.40 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[2-(trifluoromethyl)oxetan-2-yl]phenoxy]cyclobutyl] N-tert-butylcarbamate is sourced from PubChem (CID 165144307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).