N-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide

C14H12F9NO — CID 46944283

IUPACN-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H12F9NO/c1-8(25)24-10(7-9-5-3-2-4-6-9)11(15,16)12(17,18)13(19,20)14(21,22)23/h2-6,10H,7H2,1H3,(H,24,25)/t10-/m0/s1
InChIKeyDVBCUISHHGYOCQ-JTQLQIEISA-N
MW381.24 g/mol
LogP4.20
Rot. Bonds6

About N-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide

N-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide (PubChem CID 46944283) has the molecular formula C14H12F9NO and a molecular weight of 381.24 g/mol. Its IUPAC name is N-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide
PubChem CID46944283
Molecular FormulaC14H12F9NO
Molecular Weight381.24 g/mol
Exact Mass381.08
IUPAC NameN-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide
SMILESCC(=O)N[C@@H](Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C14H12F9NO/c1-8(25)24-10(7-9-5-3-2-4-6-9)11(15,16)12(17,18)13(19,20)14(21,22)23/h2-6,10H,7H2,1H3,(H,24,25)/t10-/m0/s1
InChIKeyDVBCUISHHGYOCQ-JTQLQIEISA-N
XLogP4.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.24
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide with MolForge

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Related Compounds

N-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide
CID 102171912
N-(3,3,4,4,5,5,5-heptafluoro-1-phenylpentan-2-yl)-3,5-dinitrobenzamide
CID 3647708
N-[3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-yl]acetamide
CID 135065921
N-(1-phenylbutan-2-yl)acetamide
CID 2826983
N-[(2R)-1-phenylbutan-2-yl]acetamide
CID 778652
(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-2-iodooctyl)benzene
CID 132820969
2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenylpropanoic acid
CID 72975437
N-(1,1,1-trifluoro-3-phenylpropan-2-yl)butanamide
CID 70114999
(2S)-2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenylpropanoic acid
CID 11473902
fluoro 2-acetamido-3-phenylpropanoate
CID 171034994
benzyl N-[(2S)-6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-3-hydroxy-1-phenyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)undecan-2-yl]carbamate
CID 11707866
2-acetamido-3-phenylpropanamide;ethane
CID 144643683

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide?
The IUPAC name of N-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide (CID 46944283) is N-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide is CC(=O)N[C@@H](Cc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide?
The InChIKey is DVBCUISHHGYOCQ-JTQLQIEISA-N. The full InChI is InChI=1S/C14H12F9NO/c1-8(25)24-10(7-9-5-3-2-4-6-9)11(15,16)12(17,18)13(19,20)14(21,22)23/h2-6,10H,7H2,1H3,(H,24,25)/t10-/m0/s1.
What are the key properties of N-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide?
N-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide has a molecular weight of 381.24 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide is sourced from PubChem (CID 46944283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).