3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one

C14H18F2N2O2 — CID 129188767

IUPAC3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
SMILESCc1ccc([C@@H]2CCON2C(=O)C(C)(C)C(F)F)cn1
InChIInChI=1S/C14H18F2N2O2/c1-9-4-5-10(8-17-9)11-6-7-20-18(11)13(19)14(2,3)12(15)16/h4-5,8,11-12H,6-7H2,1-3H3/t11-/m0/s1
InChIKeyBLRILMIQBWKQKA-NSHDSACASA-N
MW284.31 g/mol
LogP2.89
Rot. Bonds3

About 3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one

3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one (PubChem CID 129188767) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
PubChem CID129188767
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one
SMILESCc1ccc([C@@H]2CCON2C(=O)C(C)(C)C(F)F)cn1
InChIInChI=1S/C14H18F2N2O2/c1-9-4-5-10(8-17-9)11-6-7-20-18(11)13(19)14(2,3)12(15)16/h4-5,8,11-12H,6-7H2,1-3H3/t11-/m0/s1
InChIKeyBLRILMIQBWKQKA-NSHDSACASA-N
XLogP2.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
The IUPAC name of 3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one (CID 129188767) is 3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one.
What is the SMILES notation for 3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
The canonical SMILES for 3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one is Cc1ccc([C@@H]2CCON2C(=O)C(C)(C)C(F)F)cn1.
What is the InChIKey of 3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
The InChIKey is BLRILMIQBWKQKA-NSHDSACASA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-9-4-5-10(8-17-9)11-6-7-20-18(11)13(19)14(2,3)12(15)16/h4-5,8,11-12H,6-7H2,1-3H3/t11-/m0/s1.
What are the key properties of 3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one?
3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one has a molecular weight of 284.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethyl-1-[(3S)-3-(6-methyl-3-pyridinyl)-1,2-oxazolidin-2-yl]propan-1-one is sourced from PubChem (CID 129188767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).