2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide

C17H24FNO2 — CID 54222366

IUPAC2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide
SMILESCC(C)C1c2ccc(F)cc2CCC1(O)CC(=O)N(C)C
InChIInChI=1S/C17H24FNO2/c1-11(2)16-14-6-5-13(18)9-12(14)7-8-17(16,21)10-15(20)19(3)4/h5-6,9,11,16,21H,7-8,10H2,1-4H3
InChIKeyQDMIBXMOSKOWLE-UHFFFAOYSA-N
MW293.38 g/mol
LogP2.72
Rot. Bonds3

About 2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide

2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide (PubChem CID 54222366) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is 2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide
PubChem CID54222366
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide
SMILESCC(C)C1c2ccc(F)cc2CCC1(O)CC(=O)N(C)C
InChIInChI=1S/C17H24FNO2/c1-11(2)16-14-6-5-13(18)9-12(14)7-8-17(16,21)10-15(20)19(3)4/h5-6,9,11,16,21H,7-8,10H2,1-4H3
InChIKeyQDMIBXMOSKOWLE-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide (CID 54222366) is 2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide is CC(C)C1c2ccc(F)cc2CCC1(O)CC(=O)N(C)C.
What is the InChIKey of 2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide?
The InChIKey is QDMIBXMOSKOWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-11(2)16-14-6-5-13(18)9-12(14)7-8-17(16,21)10-15(20)19(3)4/h5-6,9,11,16,21H,7-8,10H2,1-4H3.
What are the key properties of 2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide?
2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide has a molecular weight of 293.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 54222366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).