[3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]carbamic acid

C12H13F3N2O3 — CID 146194698

IUPAC[3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(COc2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)10-2-1-9(5-16-10)20-6-7-3-8(4-7)17-11(18)19/h1-2,5,7-8,17H,3-4,6H2,(H,18,19)
InChIKeyVVQKLFMZWHVVQU-UHFFFAOYSA-N
MW290.24 g/mol
LogP2.53
Rot. Bonds4

About [3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]carbamic acid

[3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]carbamic acid (PubChem CID 146194698) has the molecular formula C12H13F3N2O3 and a molecular weight of 290.24 g/mol. Its IUPAC name is [3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]carbamic acid.

Molecular Properties

Compound Name[3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]carbamic acid
PubChem CID146194698
Molecular FormulaC12H13F3N2O3
Molecular Weight290.24 g/mol
Exact Mass290.09
IUPAC Name[3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]carbamic acid
SMILESO=C(O)NC1CC(COc2ccc(C(F)(F)F)nc2)C1
InChIInChI=1S/C12H13F3N2O3/c13-12(14,15)10-2-1-9(5-16-10)20-6-7-3-8(4-7)17-11(18)19/h1-2,5,7-8,17H,3-4,6H2,(H,18,19)
InChIKeyVVQKLFMZWHVVQU-UHFFFAOYSA-N
XLogP2.53
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,8-dimethyl-2-[[3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]amino]-5,7-dihydropteridin-6-one;propane
CID 153355594
5-ethoxy-2-(trifluoromethyl)pyridine
CID 126758289
[6-(trifluoromethyl)-3-pyridinyl] carbamate
CID 69179111
3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]cyclobutan-1-amine
CID 146203808
[6-(trifluoromethyl)-3-pyridinyl] 4-propylcyclohexane-1-carboxylate
CID 19765795
1-[(1R,2S)-2-[6-(trifluoromethyl)-3-pyridinyl]cyclopropyl]ethanone
CID 156514517
(4aS)-6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 153259398
[6-(trifluoromethyl)-3-pyridinyl]oxyboronic acid
CID 53302034
acetic acid;6-(trifluoromethyl)pyridin-3-ol
CID 162333498
2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide
CID 177185716
bis[6-(trifluoromethyl)-3-pyridinyl] 4-butylcyclohexane-1,1-dicarboxylate
CID 57141422
5-(cyclopentylmethoxy)pyridine-2-carboxylic acid
CID 79794070

Frequently Asked Questions

What is the IUPAC name of [3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]carbamic acid?
The IUPAC name of [3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]carbamic acid (CID 146194698) is [3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]carbamic acid.
What is the SMILES notation for [3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]carbamic acid?
The canonical SMILES for [3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]carbamic acid is O=C(O)NC1CC(COc2ccc(C(F)(F)F)nc2)C1.
What is the InChIKey of [3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]carbamic acid?
The InChIKey is VVQKLFMZWHVVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O3/c13-12(14,15)10-2-1-9(5-16-10)20-6-7-3-8(4-7)17-11(18)19/h1-2,5,7-8,17H,3-4,6H2,(H,18,19).
What are the key properties of [3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]carbamic acid?
[3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]carbamic acid has a molecular weight of 290.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]cyclobutyl]carbamic acid is sourced from PubChem (CID 146194698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).