2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide

C11H12F3NO — CID 124671108

IUPAC2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESC[C@@H](c1ccc(F)cc1)N(C)C(=O)C(F)F
InChIInChI=1S/C11H12F3NO/c1-7(15(2)11(16)10(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3/t7-/m0/s1
InChIKeyZVOWMUSOQFOFEI-ZETCQYMHSA-N
MW231.22 g/mol
LogP2.61
Rot. Bonds3

About 2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide

2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide (PubChem CID 124671108) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
PubChem CID124671108
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
SMILESC[C@@H](c1ccc(F)cc1)N(C)C(=O)C(F)F
InChIInChI=1S/C11H12F3NO/c1-7(15(2)11(16)10(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3/t7-/m0/s1
InChIKeyZVOWMUSOQFOFEI-ZETCQYMHSA-N
XLogP2.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide;hydrochloride
CID 119275395
2-(azetidin-3-yl)-N-[1-(4-fluorophenyl)ethyl]-N-methylpropanamide
CID 116676248
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
3-amino-N-[1-(4-fluorophenyl)ethyl]-N,2,2,3-tetramethylbutanamide
CID 65269320
6-[1-(4-fluorophenyl)ethyl-methylamino]-6-oxohexanoic acid
CID 60952600
3,5-diamino-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzamide
CID 61111115
2-[[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]-methylamino]acetamide
CID 56815151
1-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylcyclobutane-1-carboxamide
CID 81173083
N-[1-(4-fluorophenyl)ethyl]-N-methylfuran-2-carboxamide
CID 60698505
2-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 113219837
2-(aminomethyl)-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-N-methylbutanamide
CID 115432049
N-ethyl-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 60794877

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The IUPAC name of 2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide (CID 124671108) is 2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide.
What is the SMILES notation for 2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The canonical SMILES for 2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide is C[C@@H](c1ccc(F)cc1)N(C)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide?
The InChIKey is ZVOWMUSOQFOFEI-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-7(15(2)11(16)10(13)14)8-3-5-9(12)6-4-8/h3-7,10H,1-2H3/t7-/m0/s1.
What are the key properties of 2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide?
2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide has a molecular weight of 231.22 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methylacetamide is sourced from PubChem (CID 124671108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).