3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one

C13H14F4N2O — CID 83126268

IUPAC3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESO=C(CCN(CC(F)(F)F)C1CC1)c1ccc(F)cn1
InChIInChI=1S/C13H14F4N2O/c14-9-1-4-11(18-7-9)12(20)5-6-19(10-2-3-10)8-13(15,16)17/h1,4,7,10H,2-3,5-6,8H2
InChIKeyPMPFNMBRBRJSGM-UHFFFAOYSA-N
MW290.26 g/mol
LogP2.82
Rot. Bonds6

About 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one

3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one (PubChem CID 83126268) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
PubChem CID83126268
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC Name3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one
SMILESO=C(CCN(CC(F)(F)F)C1CC1)c1ccc(F)cn1
InChIInChI=1S/C13H14F4N2O/c14-9-1-4-11(18-7-9)12(20)5-6-19(10-2-3-10)8-13(15,16)17/h1,4,7,10H,2-3,5-6,8H2
InChIKeyPMPFNMBRBRJSGM-UHFFFAOYSA-N
XLogP2.82
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The IUPAC name of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one (CID 83126268) is 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one.
What is the SMILES notation for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The canonical SMILES for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one is O=C(CCN(CC(F)(F)F)C1CC1)c1ccc(F)cn1.
What is the InChIKey of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
The InChIKey is PMPFNMBRBRJSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O/c14-9-1-4-11(18-7-9)12(20)5-6-19(10-2-3-10)8-13(15,16)17/h1,4,7,10H,2-3,5-6,8H2.
What are the key properties of 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one?
3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one has a molecular weight of 290.26 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(5-fluoro-2-pyridinyl)propan-1-one is sourced from PubChem (CID 83126268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).