8-(dimethylamino)-4,4-difluorooct-2-enamide

C10H18F2N2O — CID 151847645

IUPAC8-(dimethylamino)-4,4-difluorooct-2-enamide
SMILESCN(C)CCCCC(F)(F)C=CC(N)=O
InChIInChI=1S/C10H18F2N2O/c1-14(2)8-4-3-6-10(11,12)7-5-9(13)15/h5,7H,3-4,6,8H2,1-2H3,(H2,13,15)
InChIKeySHZPMMGTYPMKEG-UHFFFAOYSA-N
MW220.26 g/mol
LogP1.40
Rot. Bonds7

About 8-(dimethylamino)-4,4-difluorooct-2-enamide

8-(dimethylamino)-4,4-difluorooct-2-enamide (PubChem CID 151847645) has the molecular formula C10H18F2N2O and a molecular weight of 220.26 g/mol. Its IUPAC name is 8-(dimethylamino)-4,4-difluorooct-2-enamide.

Molecular Properties

Compound Name8-(dimethylamino)-4,4-difluorooct-2-enamide
PubChem CID151847645
Molecular FormulaC10H18F2N2O
Molecular Weight220.26 g/mol
Exact Mass220.14
IUPAC Name8-(dimethylamino)-4,4-difluorooct-2-enamide
SMILESCN(C)CCCCC(F)(F)C=CC(N)=O
InChIInChI=1S/C10H18F2N2O/c1-14(2)8-4-3-6-10(11,12)7-5-9(13)15/h5,7H,3-4,6,8H2,1-2H3,(H2,13,15)
InChIKeySHZPMMGTYPMKEG-UHFFFAOYSA-N
XLogP1.40
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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1-(dimethylamino)-5,5-difluoroheptan-4-one
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2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanamide
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4-(7-fluoro-7-methyloctyl)sulfonyl-N,N-dimethylbutan-1-amine
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bis[6-(dimethylamino)hexyl] (Z)-but-2-enedioate
CID 87123530
N,N-dimethylpropan-1-amine;bis(prop-2-enamide)
CID 158610265
2-amino-6-[3-(dimethylamino)propyl-methylamino]-2-methylhexanoic acid
CID 63700666
2,2-bis[3-(dimethylamino)propyl]butanediamide
CID 175305389
N-[3-(dimethylamino)propyl]prop-2-enamide;prop-2-enamide;hydrochloride
CID 173080700
(Z)-N'-hexyl-N'-methylbut-2-enediamide
CID 87339309
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CID 166092761

Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-4,4-difluorooct-2-enamide?
The IUPAC name of 8-(dimethylamino)-4,4-difluorooct-2-enamide (CID 151847645) is 8-(dimethylamino)-4,4-difluorooct-2-enamide.
What is the SMILES notation for 8-(dimethylamino)-4,4-difluorooct-2-enamide?
The canonical SMILES for 8-(dimethylamino)-4,4-difluorooct-2-enamide is CN(C)CCCCC(F)(F)C=CC(N)=O.
What is the InChIKey of 8-(dimethylamino)-4,4-difluorooct-2-enamide?
The InChIKey is SHZPMMGTYPMKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2O/c1-14(2)8-4-3-6-10(11,12)7-5-9(13)15/h5,7H,3-4,6,8H2,1-2H3,(H2,13,15).
What are the key properties of 8-(dimethylamino)-4,4-difluorooct-2-enamide?
8-(dimethylamino)-4,4-difluorooct-2-enamide has a molecular weight of 220.26 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-4,4-difluorooct-2-enamide is sourced from PubChem (CID 151847645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).