5-(dimethylamino)-3-fluoropentan-2-one;ethane

C9H20FNO — CID 142369430

IUPAC5-(dimethylamino)-3-fluoropentan-2-one;ethane
SMILESCC.CC(=O)C(F)CCN(C)C
InChIInChI=1S/C7H14FNO.C2H6/c1-6(10)7(8)4-5-9(2)3;1-2/h7H,4-5H2,1-3H3;1-2H3
InChIKeyMLZVQLWYAPMPTJ-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.89
Rot. Bonds4

About 5-(dimethylamino)-3-fluoropentan-2-one;ethane

5-(dimethylamino)-3-fluoropentan-2-one;ethane (PubChem CID 142369430) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 5-(dimethylamino)-3-fluoropentan-2-one;ethane.

Molecular Properties

Compound Name5-(dimethylamino)-3-fluoropentan-2-one;ethane
PubChem CID142369430
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name5-(dimethylamino)-3-fluoropentan-2-one;ethane
SMILESCC.CC(=O)C(F)CCN(C)C
InChIInChI=1S/C7H14FNO.C2H6/c1-6(10)7(8)4-5-9(2)3;1-2/h7H,4-5H2,1-3H3;1-2H3
InChIKeyMLZVQLWYAPMPTJ-UHFFFAOYSA-N
XLogP1.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(dimethylamino)-3-fluoropentan-2-one
CID 139565635
(3R)-5-(dimethylamino)-3-fluoropentan-2-one
CID 139565610
3-acetylpentane-2,4-dione;nickel;N,N,N',N'-tetramethylethane-1,2-diamine
CID 175602645
3-fluoro-N,N-dimethylbutan-1-amine
CID 142449569
1,3-bis(dimethylamino)propane-1-sulfonic acid
CID 87176148
N-[2-(dimethylamino)ethyl]-2,2-difluoro-N-methylacetamide
CID 103515493
N-[2-(dimethylamino)ethyl]-N-methylacetamide;ethane
CID 143604144
2-amino-6-(dimethylamino)hexanoic acid;ethane
CID 177245948
4-(dimethylamino)-2-methylbutanamide;hydrochloride
CID 143130107
3-(dimethylamino)propane-1,1-diol;hydrochloride
CID 173336782
N-[4-(dimethylamino)-2-methylbutyl]cyclopropanecarboxamide;ethane
CID 166075449
[5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate
CID 11367867

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3-fluoropentan-2-one;ethane?
The IUPAC name of 5-(dimethylamino)-3-fluoropentan-2-one;ethane (CID 142369430) is 5-(dimethylamino)-3-fluoropentan-2-one;ethane.
What is the SMILES notation for 5-(dimethylamino)-3-fluoropentan-2-one;ethane?
The canonical SMILES for 5-(dimethylamino)-3-fluoropentan-2-one;ethane is CC.CC(=O)C(F)CCN(C)C.
What is the InChIKey of 5-(dimethylamino)-3-fluoropentan-2-one;ethane?
The InChIKey is MLZVQLWYAPMPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO.C2H6/c1-6(10)7(8)4-5-9(2)3;1-2/h7H,4-5H2,1-3H3;1-2H3.
What are the key properties of 5-(dimethylamino)-3-fluoropentan-2-one;ethane?
5-(dimethylamino)-3-fluoropentan-2-one;ethane has a molecular weight of 177.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-3-fluoropentan-2-one;ethane is sourced from PubChem (CID 142369430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).