N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methylpropanamide

C17H15F6NO2 — CID 10452297

IUPACN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C17H15F6NO2/c1-9(2)14(25)24-13-11-6-4-3-5-10(11)7-8-12(13)15(26,16(18,19)20)17(21,22)23/h3-9,26H,1-2H3,(H,24,25)
InChIKeyPVZDGLCSZMICOE-UHFFFAOYSA-N
MW379.30 g/mol
LogP4.75
Rot. Bonds3

About N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methylpropanamide

N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methylpropanamide (PubChem CID 10452297) has the molecular formula C17H15F6NO2 and a molecular weight of 379.30 g/mol. Its IUPAC name is N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methylpropanamide
PubChem CID10452297
Molecular FormulaC17H15F6NO2
Molecular Weight379.30 g/mol
Exact Mass379.10
IUPAC NameN-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C17H15F6NO2/c1-9(2)14(25)24-13-11-6-4-3-5-10(11)7-8-12(13)15(26,16(18,19)20)17(21,22)23/h3-9,26H,1-2H3,(H,24,25)
InChIKeyPVZDGLCSZMICOE-UHFFFAOYSA-N
XLogP4.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.30
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-4-iodobenzamide
CID 10459906
2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]butanamide
CID 86590042
1,1,1,3,3,3-hexafluoro-2-(4-iodonaphthalen-1-yl)propan-2-ol
CID 122541366
tert-butyl (2S,3R)-2-amino-3-hydroxy-5-naphthalen-1-yl-3-(trifluoromethyl)pentanoate
CID 162410523
3,3,3-trifluoro-2-methyl-1-phenanthren-3-ylpropan-1-one
CID 134252756
2-methyl-N-[4-(2-methylpropanoylamino)-6-[2-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]propanamide
CID 2730673
naphthalen-1-ylmethyl 2-(2-methylpropanoylamino)benzoate
CID 926085
N-(2,6-dimethylphenyl)-2-methylpropanamide;yttrium
CID 158388394
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
2-methyl-N-[3-[(2-naphthalen-1-yloxyacetyl)amino]phenyl]propanamide
CID 21213308
N-[3-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]phenyl]-2-methylpropanamide
CID 17189164
2-[(2-methylnaphthalen-1-yl)amino]propanoic acid
CID 22906744

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methylpropanamide?
The IUPAC name of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methylpropanamide (CID 10452297) is N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methylpropanamide?
The canonical SMILES for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methylpropanamide is CC(C)C(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12.
What is the InChIKey of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methylpropanamide?
The InChIKey is PVZDGLCSZMICOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6NO2/c1-9(2)14(25)24-13-11-6-4-3-5-10(11)7-8-12(13)15(26,16(18,19)20)17(21,22)23/h3-9,26H,1-2H3,(H,24,25).
What are the key properties of N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methylpropanamide?
N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methylpropanamide has a molecular weight of 379.30 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]-2-methylpropanamide is sourced from PubChem (CID 10452297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).