1-(dimethylamino)-5,5-difluoroheptan-4-one

C9H17F2NO — CID 158665123

IUPAC1-(dimethylamino)-5,5-difluoroheptan-4-one
SMILESCCC(F)(F)C(=O)CCCN(C)C
InChIInChI=1S/C9H17F2NO/c1-4-9(10,11)8(13)6-5-7-12(2)3/h4-7H2,1-3H3
InChIKeyLIUKYKGFIPESKR-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.94
Rot. Bonds6

About 1-(dimethylamino)-5,5-difluoroheptan-4-one

1-(dimethylamino)-5,5-difluoroheptan-4-one (PubChem CID 158665123) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-(dimethylamino)-5,5-difluoroheptan-4-one.

Molecular Properties

Compound Name1-(dimethylamino)-5,5-difluoroheptan-4-one
PubChem CID158665123
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name1-(dimethylamino)-5,5-difluoroheptan-4-one
SMILESCCC(F)(F)C(=O)CCCN(C)C
InChIInChI=1S/C9H17F2NO/c1-4-9(10,11)8(13)6-5-7-12(2)3/h4-7H2,1-3H3
InChIKeyLIUKYKGFIPESKR-UHFFFAOYSA-N
XLogP1.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(dimethylamino)-1,1,1-trifluoropentan-2-one
CID 19005120
N-[2-(dimethylamino)ethyl]-2,2-difluorobutanamide
CID 90205971
6-(dimethylamino)hexane-2,3-dione
CID 164832237
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
5-(dimethylamino)pentan-2-one;ethane;methane
CID 153399889
8-(dimethylamino)-4,4-difluorooct-2-enamide
CID 151847645
6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one
CID 163571102
ethane;4,4,4-trifluoro-N,N-dimethylbutan-1-amine
CID 166092761
4-(dimethylamino)-1-(1-methylcyclopropyl)butan-1-one
CID 159063908
5,5-difluorodecan-4-one
CID 137420614
1-amino-5-(dimethylamino)pentan-2-one
CID 160666073
6-(dimethylamino)-3-methylhexan-3-ol
CID 12542595

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-5,5-difluoroheptan-4-one?
The IUPAC name of 1-(dimethylamino)-5,5-difluoroheptan-4-one (CID 158665123) is 1-(dimethylamino)-5,5-difluoroheptan-4-one.
What is the SMILES notation for 1-(dimethylamino)-5,5-difluoroheptan-4-one?
The canonical SMILES for 1-(dimethylamino)-5,5-difluoroheptan-4-one is CCC(F)(F)C(=O)CCCN(C)C.
What is the InChIKey of 1-(dimethylamino)-5,5-difluoroheptan-4-one?
The InChIKey is LIUKYKGFIPESKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-4-9(10,11)8(13)6-5-7-12(2)3/h4-7H2,1-3H3.
What are the key properties of 1-(dimethylamino)-5,5-difluoroheptan-4-one?
1-(dimethylamino)-5,5-difluoroheptan-4-one has a molecular weight of 193.24 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-5,5-difluoroheptan-4-one is sourced from PubChem (CID 158665123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).