N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide

C10H11F2NO — CID 129415662

IUPACN-[(1S)-2,2-difluoro-1-phenylethyl]acetamide
SMILESCC(=O)N[C@@H](c1ccccc1)C(F)F
InChIInChI=1S/C10H11F2NO/c1-7(14)13-9(10(11)12)8-5-3-2-4-6-8/h2-6,9-10H,1H3,(H,13,14)/t9-/m0/s1
InChIKeyWGBKSROQZQGWRK-VIFPVBQESA-N
MW199.20 g/mol
LogP2.13
Rot. Bonds3

About N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide

N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide (PubChem CID 129415662) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide.

Molecular Properties

Compound NameN-[(1S)-2,2-difluoro-1-phenylethyl]acetamide
PubChem CID129415662
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC NameN-[(1S)-2,2-difluoro-1-phenylethyl]acetamide
SMILESCC(=O)N[C@@H](c1ccccc1)C(F)F
InChIInChI=1S/C10H11F2NO/c1-7(14)13-9(10(11)12)8-5-3-2-4-6-8/h2-6,9-10H,1H3,(H,13,14)/t9-/m0/s1
InChIKeyWGBKSROQZQGWRK-VIFPVBQESA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl (2S,3R)-3-acetamido-2-methyl-3-phenylpropanoate
CID 101468384
N-[(1R,2R)-2-bromo-3-oxo-1,3-diphenylpropyl]acetamide
CID 11221694
N-[2,2-bis(3-methoxyphenyl)-1-phenylethyl]acetamide
CID 11349353
ethyl (2S,3S)-3-acetamido-2-methyl-3-phenylpropanoate
CID 70863317
propan-2-yl (2R,3S)-3-acetamido-2-hydroxy-3-phenylpropanoate
CID 10956433
2-acetamido-2-phenylethanethioic S-acid
CID 54058419
N-[(1R)-3-methyl-2-oxo-1-phenylbutyl]acetamide
CID 59237081
N-(1-phenylprop-2-ynyl)acetamide
CID 15014547
[(R)-acetamido(phenyl)methyl]phosphonic acid
CID 18634539
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
[acetamido(phenyl)methyl]phosphonic acid
CID 12726207
2-acetamido-3-phenylbutanoic acid
CID 14036079

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide?
The IUPAC name of N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide (CID 129415662) is N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide.
What is the SMILES notation for N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide?
The canonical SMILES for N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide is CC(=O)N[C@@H](c1ccccc1)C(F)F.
What is the InChIKey of N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide?
The InChIKey is WGBKSROQZQGWRK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11F2NO/c1-7(14)13-9(10(11)12)8-5-3-2-4-6-8/h2-6,9-10H,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide?
N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide has a molecular weight of 199.20 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,2-difluoro-1-phenylethyl]acetamide is sourced from PubChem (CID 129415662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).