N-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide

C15H14F9NO — CID 102171912

IUPACN-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide
SMILESCC(=O)N[C@H](CCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H14F9NO/c1-9(26)25-11(8-7-10-5-3-2-4-6-10)12(16,17)13(18,19)14(20,21)15(22,23)24/h2-6,11H,7-8H2,1H3,(H,25,26)/t11-/m1/s1
InChIKeyFZXXMHDTLAOIRG-LLVKDONJSA-N
MW395.27 g/mol
LogP4.59
Rot. Bonds7

About N-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide

N-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide (PubChem CID 102171912) has the molecular formula C15H14F9NO and a molecular weight of 395.27 g/mol. Its IUPAC name is N-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide
PubChem CID102171912
Molecular FormulaC15H14F9NO
Molecular Weight395.27 g/mol
Exact Mass395.09
IUPAC NameN-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide
SMILESCC(=O)N[C@H](CCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H14F9NO/c1-9(26)25-11(8-7-10-5-3-2-4-6-10)12(16,17)13(18,19)14(20,21)15(22,23)24/h2-6,11H,7-8H2,1H3,(H,25,26)/t11-/m1/s1
InChIKeyFZXXMHDTLAOIRG-LLVKDONJSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.27
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide
CID 46944283
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
2-acetamido-4-phenylbutanamide
CID 67451841
(2S)-2-acetamido-4-phenylbutanoate
CID 86308206
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
(2S)-2-acetamido-7-phenylheptanoic acid
CID 129362724
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
1-acetyl-N-(1,1,1-trifluoro-4-phenylbutan-2-yl)piperidine-4-carboxamide
CID 75448366
(2S)-2-acetamido-N-(2-phenylethyl)propanamide
CID 51647688
(2S)-2-(2,2-dimethylpropanoylamino)-4-phenylbutanoic acid
CID 104983118
(2S)-2-acetamido-N-(1-phenylhexan-3-yl)propanamide
CID 167881272
2-methyl-4-phenylbutanoic acid
CID 66896591

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide?
The IUPAC name of N-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide (CID 102171912) is N-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide.
What is the SMILES notation for N-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide?
The canonical SMILES for N-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide is CC(=O)N[C@H](CCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide?
The InChIKey is FZXXMHDTLAOIRG-LLVKDONJSA-N. The full InChI is InChI=1S/C15H14F9NO/c1-9(26)25-11(8-7-10-5-3-2-4-6-10)12(16,17)13(18,19)14(20,21)15(22,23)24/h2-6,11H,7-8H2,1H3,(H,25,26)/t11-/m1/s1.
What are the key properties of N-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide?
N-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide has a molecular weight of 395.27 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide is sourced from PubChem (CID 102171912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).