4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one

C10H14F3NO — CID 138702432

IUPAC4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one
SMILESC[C@H]1C=CN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO/c1-8-3-6-14(7-4-8)9(15)2-5-10(11,12)13/h3,6,8H,2,4-5,7H2,1H3/t8-/m0/s1
InChIKeyIKYXYSPCYUDDOZ-QMMMGPOBSA-N
MW221.22 g/mol
LogP2.71
Rot. Bonds2

About 4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one

4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one (PubChem CID 138702432) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one
PubChem CID138702432
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one
SMILESC[C@H]1C=CN(C(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C10H14F3NO/c1-8-3-6-14(7-4-8)9(15)2-5-10(11,12)13/h3,6,8H,2,4-5,7H2,1H3/t8-/m0/s1
InChIKeyIKYXYSPCYUDDOZ-QMMMGPOBSA-N
XLogP2.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one (CID 138702432) is 4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one is C[C@H]1C=CN(C(=O)CCC(F)(F)F)CC1.
What is the InChIKey of 4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one?
The InChIKey is IKYXYSPCYUDDOZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-8-3-6-14(7-4-8)9(15)2-5-10(11,12)13/h3,6,8H,2,4-5,7H2,1H3/t8-/m0/s1.
What are the key properties of 4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one has a molecular weight of 221.22 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[(4R)-4-methyl-3,4-dihydro-2H-pyridin-1-yl]butan-1-one is sourced from PubChem (CID 138702432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).