1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-5-yl)-2,2-difluoropropan-1-one

C10H15F2NO — CID 167113800

IUPAC1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-5-yl)-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)C1=CNCCC1(C)C
InChIInChI=1S/C10H15F2NO/c1-9(2)4-5-13-6-7(9)8(14)10(3,11)12/h6,13H,4-5H2,1-3H3
InChIKeyPUCFKBPJZQRRCT-UHFFFAOYSA-N
MW203.23 g/mol
LogP2.11
Rot. Bonds2

About 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-5-yl)-2,2-difluoropropan-1-one

1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-5-yl)-2,2-difluoropropan-1-one (PubChem CID 167113800) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-5-yl)-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-5-yl)-2,2-difluoropropan-1-one
PubChem CID167113800
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-5-yl)-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)C1=CNCCC1(C)C
InChIInChI=1S/C10H15F2NO/c1-9(2)4-5-13-6-7(9)8(14)10(3,11)12/h6,13H,4-5H2,1-3H3
InChIKeyPUCFKBPJZQRRCT-UHFFFAOYSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-5-yl)-2,2-difluoropropan-1-one?
The IUPAC name of 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-5-yl)-2,2-difluoropropan-1-one (CID 167113800) is 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-5-yl)-2,2-difluoropropan-1-one.
What is the SMILES notation for 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-5-yl)-2,2-difluoropropan-1-one?
The canonical SMILES for 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-5-yl)-2,2-difluoropropan-1-one is CC(F)(F)C(=O)C1=CNCCC1(C)C.
What is the InChIKey of 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-5-yl)-2,2-difluoropropan-1-one?
The InChIKey is PUCFKBPJZQRRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-9(2)4-5-13-6-7(9)8(14)10(3,11)12/h6,13H,4-5H2,1-3H3.
What are the key properties of 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-5-yl)-2,2-difluoropropan-1-one?
1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-5-yl)-2,2-difluoropropan-1-one has a molecular weight of 203.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethyl-2,3-dihydro-1H-pyridin-5-yl)-2,2-difluoropropan-1-one is sourced from PubChem (CID 167113800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).