N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide

C13H17F2NO — CID 60725238

IUPACN-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
SMILESCC(C)(C)C(=O)N(C)CC1=C(C=C(C=C1)F)F
InChIInChI=1S/C13H17F2NO/c1-13(2,3)12(17)16(4)8-9-5-6-10(14)7-11(9)15/h5-7H,8H2,1-4H3
InChIKeyUUWPTXYZAAKZOU-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.80
Rot. Bonds3

About N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide

N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide (PubChem CID 60725238) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
PubChem CID60725238
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC NameN-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
SMILESCC(C)(C)C(=O)N(C)CC1=C(C=C(C=C1)F)F
InChIInChI=1S/C13H17F2NO/c1-13(2,3)12(17)16(4)8-9-5-6-10(14)7-11(9)15/h5-7H,8H2,1-4H3
InChIKeyUUWPTXYZAAKZOU-UHFFFAOYSA-N
XLogP2.80
TPSA20.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity275

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide (CID 60725238) is N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide is CC(C)(C)C(=O)N(C)CC1=C(C=C(C=C1)F)F.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide?
The InChIKey is UUWPTXYZAAKZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-13(2,3)12(17)16(4)8-9-5-6-10(14)7-11(9)15/h5-7H,8H2,1-4H3.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide?
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide has a molecular weight of 241.28 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide is sourced from PubChem (CID 60725238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).