N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide

C12H11F6NO2 — CID 3658518

IUPACN-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide
SMILESCC(=O)NC(OCc1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H11F6NO2/c1-8(20)19-10(11(13,14)15,12(16,17)18)21-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,19,20)
InChIKeyUODJBPUSMTVGNA-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.16
Rot. Bonds4

About N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide

N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide (PubChem CID 3658518) has the molecular formula C12H11F6NO2 and a molecular weight of 315.21 g/mol. Its IUPAC name is N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide.

Molecular Properties

Compound NameN-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide
PubChem CID3658518
Molecular FormulaC12H11F6NO2
Molecular Weight315.21 g/mol
Exact Mass315.07
IUPAC NameN-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide
SMILESCC(=O)NC(OCc1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H11F6NO2/c1-8(20)19-10(11(13,14)15,12(16,17)18)21-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,19,20)
InChIKeyUODJBPUSMTVGNA-UHFFFAOYSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

benzyl 2-acetamido-2,2-dichloroacetate
CID 146409360
2-fluoro-2-(phenylmethoxymethyl)propanedioic acid
CID 67878922
acetic acid;benzyl 2,2,2-trifluoroacetate
CID 157158802
3-(benzylamino)-2-fluoro-2-phenylmethoxypropanamide
CID 67109526
(2S)-2,3,3-trimethyl-2-phenylmethoxybutanoic acid
CID 14683672
(2S)-3,3,3-trifluoro-2-methyl-2-phenylmethoxypropanal
CID 15852818
acetic acid;phenylmethoxymethylbenzene
CID 175214238
(1,1-difluoro-2,2-dimethylpropoxy)methylbenzene
CID 58044547
methoxymethylbenzene;methyl acetate
CID 54330728
(2S)-2-benzyl-3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 57367743
methyl (2S)-3,3,3-trifluoro-2-methyl-2-(phenylmethoxycarbonylamino)propanoate
CID 102354501
ethyl (2S)-2-methyl-3-oxo-3-(2,2,3,3,3-pentafluoropropylamino)-2-phenylmethoxypropanoate
CID 122367679

Frequently Asked Questions

What is the IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide?
The IUPAC name of N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide (CID 3658518) is N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide.
What is the SMILES notation for N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide?
The canonical SMILES for N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide is CC(=O)NC(OCc1ccccc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide?
The InChIKey is UODJBPUSMTVGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6NO2/c1-8(20)19-10(11(13,14)15,12(16,17)18)21-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,19,20).
What are the key properties of N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide?
N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide has a molecular weight of 315.21 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1,3,3,3-hexafluoro-2-phenylmethoxypropan-2-yl)acetamide is sourced from PubChem (CID 3658518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).