N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide

C12H15F2NO — CID 162581119

IUPACN-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide
SMILESCCC(F)(F)c1ccccc1N(C)C(C)=O
InChIInChI=1S/C12H15F2NO/c1-4-12(13,14)10-7-5-6-8-11(10)15(3)9(2)16/h5-8H,4H2,1-3H3
InChIKeyDUSJTFKQQWWQCD-UHFFFAOYSA-N
MW227.25 g/mol
LogP3.17
Rot. Bonds3

About N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide

N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide (PubChem CID 162581119) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide
PubChem CID162581119
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC NameN-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide
SMILESCCC(F)(F)c1ccccc1N(C)C(C)=O
InChIInChI=1S/C12H15F2NO/c1-4-12(13,14)10-7-5-6-8-11(10)15(3)9(2)16/h5-8H,4H2,1-3H3
InChIKeyDUSJTFKQQWWQCD-UHFFFAOYSA-N
XLogP3.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[[2-[acetyl(methyl)amino]phenyl]diselanyl]phenyl]-N-methylacetamide
CID 6451931
2-[acetyl(methyl)amino]-N-(2,2,2-trifluoroethoxy)benzamide
CID 81340040
1-bromo-2-(1,1-difluoropropyl)benzene
CID 116841343
(2-tert-butylphenyl)-methylcarbamic acid
CID 142882517
2-[acetyl(methyl)amino]-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103755895
3-[2-(dimethylamino)phenyl]pentan-3-ol
CID 91656496
N-acetyl-N-(2-tert-butylphenyl)propanamide
CID 15889837
[2-[acetyl(methyl)amino]phenyl]methyl acetate
CID 13244169
N-[2-(3-aminopropyl)phenyl]-N-methylacetamide
CID 143582453
N-(2,4-ditert-butylphenyl)-N-methylacetamide
CID 517590
2-[acetyl(methyl)amino]-N-(3-hydroxypentyl)benzamide
CID 115703920
N-methyl-N-[2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]oxy]phenyl]acetamide
CID 19065557

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide?
The IUPAC name of N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide (CID 162581119) is N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide?
The canonical SMILES for N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide is CCC(F)(F)c1ccccc1N(C)C(C)=O.
What is the InChIKey of N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide?
The InChIKey is DUSJTFKQQWWQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c1-4-12(13,14)10-7-5-6-8-11(10)15(3)9(2)16/h5-8H,4H2,1-3H3.
What are the key properties of N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide?
N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide has a molecular weight of 227.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,1-difluoropropyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 162581119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).