[2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate

C15H21F3N2O3 — CID 174836579

IUPAC[2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate
SMILESCc1cc(C(C)CC(C)(C)OC(N)=O)cnc1OCC(F)(F)F
InChIInChI=1S/C15H21F3N2O3/c1-9-5-11(7-20-12(9)22-8-15(16,17)18)10(2)6-14(3,4)23-13(19)21/h5,7,10H,6,8H2,1-4H3,(H2,19,21)
InChIKeyHAINKFCSRADNNT-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.70
Rot. Bonds6

About [2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate

[2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate (PubChem CID 174836579) has the molecular formula C15H21F3N2O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is [2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate.

Molecular Properties

Compound Name[2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate
PubChem CID174836579
Molecular FormulaC15H21F3N2O3
Molecular Weight334.34 g/mol
Exact Mass334.15
IUPAC Name[2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate
SMILESCc1cc(C(C)CC(C)(C)OC(N)=O)cnc1OCC(F)(F)F
InChIInChI=1S/C15H21F3N2O3/c1-9-5-11(7-20-12(9)22-8-15(16,17)18)10(2)6-14(3,4)23-13(19)21/h5,7,10H,6,8H2,1-4H3,(H2,19,21)
InChIKeyHAINKFCSRADNNT-UHFFFAOYSA-N
XLogP3.70
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate?
The IUPAC name of [2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate (CID 174836579) is [2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate.
What is the SMILES notation for [2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate?
The canonical SMILES for [2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate is Cc1cc(C(C)CC(C)(C)OC(N)=O)cnc1OCC(F)(F)F.
What is the InChIKey of [2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate?
The InChIKey is HAINKFCSRADNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O3/c1-9-5-11(7-20-12(9)22-8-15(16,17)18)10(2)6-14(3,4)23-13(19)21/h5,7,10H,6,8H2,1-4H3,(H2,19,21).
What are the key properties of [2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate?
[2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate has a molecular weight of 334.34 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pentan-2-yl] carbamate is sourced from PubChem (CID 174836579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).