N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide

C9H12F7NO — CID 102171914

IUPACN-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide
SMILESCCC[C@H](NC(C)=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F7NO/c1-3-4-6(17-5(2)18)7(10,11)8(12,13)9(14,15)16/h6H,3-4H2,1-2H3,(H,17,18)/t6-/m0/s1
InChIKeyXZUGHBAHTLVVRE-LURJTMIESA-N
MW283.19 g/mol
LogP3.12
Rot. Bonds5

About N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide

N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide (PubChem CID 102171914) has the molecular formula C9H12F7NO and a molecular weight of 283.19 g/mol. Its IUPAC name is N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide
PubChem CID102171914
Molecular FormulaC9H12F7NO
Molecular Weight283.19 g/mol
Exact Mass283.08
IUPAC NameN-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide
SMILESCCC[C@H](NC(C)=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H12F7NO/c1-3-4-6(17-5(2)18)7(10,11)8(12,13)9(14,15)16/h6H,3-4H2,1-2H3,(H,17,18)/t6-/m0/s1
InChIKeyXZUGHBAHTLVVRE-LURJTMIESA-N
XLogP3.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.19
LogP ≤ 53.12
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-[(3R)-4,4,5,5,6,6,7,7,7-nonafluoro-1-phenylheptan-3-yl]acetamide
CID 102171912
N-[(2S)-3,3,4,4,5,5,6,6,6-nonafluoro-1-phenylhexan-2-yl]acetamide
CID 46944283
N-(1,1,1-trifluoro-4-hydroxybutan-2-yl)acetamide
CID 121358022
N-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]acetamide
CID 121358026
ethane;N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)acetamide
CID 157037411
2-acetamidopentanamide
CID 23273489
1,1,1,2,2,3,3-heptafluoro-4-iodoheptane
CID 151585042
N-(1-bromo-2,2,3,3,3-pentafluoropropyl)acetamide
CID 140586139
N-[(2S)-1-hydroxypentan-2-yl]acetamide
CID 10464451
N-(2,2-dimethyl-4-propylheptan-3-yl)acetamide;ethane
CID 145106472
1,1,1,2,2,3,3,9,9,10,10,11,11,11-tetradecafluoro-4-propylundecan-6-one
CID 155453587
3,4,4,5,5,6,6,7,7,7-decafluoroheptanoic acid
CID 163324510

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide?
The IUPAC name of N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide (CID 102171914) is N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide.
What is the SMILES notation for N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide?
The canonical SMILES for N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide is CCC[C@H](NC(C)=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide?
The InChIKey is XZUGHBAHTLVVRE-LURJTMIESA-N. The full InChI is InChI=1S/C9H12F7NO/c1-3-4-6(17-5(2)18)7(10,11)8(12,13)9(14,15)16/h6H,3-4H2,1-2H3,(H,17,18)/t6-/m0/s1.
What are the key properties of N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide?
N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide has a molecular weight of 283.19 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-1,1,1,2,2,3,3-heptafluoroheptan-4-yl]acetamide is sourced from PubChem (CID 102171914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).