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

C7H14FNO — CID 139565635

IUPAC5-(dimethylamino)-3-fluoropentan-2-one
SMILESCC(=O)C(F)CCN(C)C
InChIInChI=1S/C7H14FNO/c1-6(10)7(8)4-5-9(2)3/h7H,4-5H2,1-3H3
InChIKeyBGURZJQJUGELFB-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.87
Rot. Bonds4

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

5-(dimethylamino)-3-fluoropentan-2-one (PubChem CID 139565635) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 5-(dimethylamino)-3-fluoropentan-2-one.

Molecular Properties

Compound Name5-(dimethylamino)-3-fluoropentan-2-one
PubChem CID139565635
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name5-(dimethylamino)-3-fluoropentan-2-one
SMILESCC(=O)C(F)CCN(C)C
InChIInChI=1S/C7H14FNO/c1-6(10)7(8)4-5-9(2)3/h7H,4-5H2,1-3H3
InChIKeyBGURZJQJUGELFB-UHFFFAOYSA-N
XLogP0.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-5-(dimethylamino)-3-fluoropentan-2-one
CID 139565610
5-(dimethylamino)-3-fluoropentan-2-one;ethane
CID 142369430
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
4-(dimethylamino)-2-methylbutanamide;hydrochloride
CID 143130107
3-(dimethylamino)propane-1,1-diol;hydrochloride
CID 173336782
[5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate
CID 11367867
(4S)-4-amino-6-(dimethylamino)-2-methylhexan-3-one
CID 88918874
4-amino-6-(dimethylamino)-2-methylhexan-3-one
CID 88964321
(E)-4-amino-6-(dimethylamino)-2-methylhex-2-enamide
CID 130247597

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-3-fluoropentan-2-one?
The IUPAC name of 5-(dimethylamino)-3-fluoropentan-2-one (CID 139565635) is 5-(dimethylamino)-3-fluoropentan-2-one.
What is the SMILES notation for 5-(dimethylamino)-3-fluoropentan-2-one?
The canonical SMILES for 5-(dimethylamino)-3-fluoropentan-2-one is CC(=O)C(F)CCN(C)C.
What is the InChIKey of 5-(dimethylamino)-3-fluoropentan-2-one?
The InChIKey is BGURZJQJUGELFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-6(10)7(8)4-5-9(2)3/h7H,4-5H2,1-3H3.
What are the key properties of 5-(dimethylamino)-3-fluoropentan-2-one?
5-(dimethylamino)-3-fluoropentan-2-one has a molecular weight of 147.19 g/mol, XLogP of 0.87, 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 is sourced from PubChem (CID 139565635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).