propan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate

C10H11F3N2O2 — CID 68946117

IUPACpropan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate
SMILESCC(C)OC(=O)Nc1ccncc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-6(2)17-9(16)15-8-3-4-14-5-7(8)10(11,12)13/h3-6H,1-2H3,(H,14,15,16)
InChIKeyFXRDHLNJHGCFFR-UHFFFAOYSA-N
MW248.20 g/mol
LogP3.06
Rot. Bonds2

About propan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate

propan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate (PubChem CID 68946117) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is propan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate
PubChem CID68946117
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Namepropan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate
SMILESCC(C)OC(=O)Nc1ccncc1C(F)(F)F
InChIInChI=1S/C10H11F3N2O2/c1-6(2)17-9(16)15-8-3-4-14-5-7(8)10(11,12)13/h3-6H,1-2H3,(H,14,15,16)
InChIKeyFXRDHLNJHGCFFR-UHFFFAOYSA-N
XLogP3.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate?
The IUPAC name of propan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate (CID 68946117) is propan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate.
What is the SMILES notation for propan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate?
The canonical SMILES for propan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate is CC(C)OC(=O)Nc1ccncc1C(F)(F)F.
What is the InChIKey of propan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate?
The InChIKey is FXRDHLNJHGCFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-6(2)17-9(16)15-8-3-4-14-5-7(8)10(11,12)13/h3-6H,1-2H3,(H,14,15,16).
What are the key properties of propan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate?
propan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate has a molecular weight of 248.20 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate is sourced from PubChem (CID 68946117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).