[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate

C10H10F3N3O2 — CID 146303389

IUPAC[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate
SMILESNC(=O)OC1CN(c2cncc(C(F)(F)F)c2)C1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)6-1-7(3-15-2-6)16-4-8(5-16)18-9(14)17/h1-3,8H,4-5H2,(H2,14,17)
InChIKeyFXMVSBWDMJPHOG-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.38
Rot. Bonds2

About [1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate

[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate (PubChem CID 146303389) has the molecular formula C10H10F3N3O2 and a molecular weight of 261.20 g/mol. Its IUPAC name is [1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate.

Molecular Properties

Compound Name[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate
PubChem CID146303389
Molecular FormulaC10H10F3N3O2
Molecular Weight261.20 g/mol
Exact Mass261.07
IUPAC Name[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate
SMILESNC(=O)OC1CN(c2cncc(C(F)(F)F)c2)C1
InChIInChI=1S/C10H10F3N3O2/c11-10(12,13)6-1-7(3-15-2-6)16-4-8(5-16)18-9(14)17/h1-3,8H,4-5H2,(H2,14,17)
InChIKeyFXMVSBWDMJPHOG-UHFFFAOYSA-N
XLogP1.38
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl] carbamate
CID 175142260
[1-[2-chloro-4-(trifluoromethyl)phenyl]piperidin-3-yl] carbamate
CID 175145028
2-(4-propan-2-ylphenyl)-N-[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl]acetamide
CID 146302614
[1-[2-fluoro-4-(trifluoromethyl)phenyl]pyrrolidin-3-yl] carbamate
CID 175140042
[1-[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]pyrrolidin-3-yl] carbamate
CID 175147723
methyl 5-oxo-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxylate
CID 168695126
[(3R)-1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-3-yl] carbamate
CID 155168175
1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
CID 154825593
2-amino-2-(4-cyclopropylphenyl)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 153395147
2-(dimethylamino)-N-[(3R)-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302811
2,2,2-trifluoroethyl 2-[5-methyl-2-[5-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]-2-oxoacetate
CID 169113074
1-tert-butyl-4-[5-(trifluoromethyl)-3-pyridinyl]piperazine
CID 123756396

Frequently Asked Questions

What is the IUPAC name of [1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate?
The IUPAC name of [1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate (CID 146303389) is [1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate.
What is the SMILES notation for [1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate?
The canonical SMILES for [1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate is NC(=O)OC1CN(c2cncc(C(F)(F)F)c2)C1.
What is the InChIKey of [1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate?
The InChIKey is FXMVSBWDMJPHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2/c11-10(12,13)6-1-7(3-15-2-6)16-4-8(5-16)18-9(14)17/h1-3,8H,4-5H2,(H2,14,17).
What are the key properties of [1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate?
[1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate has a molecular weight of 261.20 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(trifluoromethyl)-3-pyridinyl]azetidin-3-yl] carbamate is sourced from PubChem (CID 146303389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).