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

C7H14FNO — CID 139565610

IUPAC(3R)-5-(dimethylamino)-3-fluoropentan-2-one
SMILESCC(=O)[C@H](F)CCN(C)C
InChIInChI=1S/C7H14FNO/c1-6(10)7(8)4-5-9(2)3/h7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyBGURZJQJUGELFB-SSDOTTSWSA-N
MW147.19 g/mol
LogP0.87
Rot. Bonds4

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

(3R)-5-(dimethylamino)-3-fluoropentan-2-one (PubChem CID 139565610) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (3R)-5-(dimethylamino)-3-fluoropentan-2-one.

Molecular Properties

Compound Name(3R)-5-(dimethylamino)-3-fluoropentan-2-one
PubChem CID139565610
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(3R)-5-(dimethylamino)-3-fluoropentan-2-one
SMILESCC(=O)[C@H](F)CCN(C)C
InChIInChI=1S/C7H14FNO/c1-6(10)7(8)4-5-9(2)3/h7H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyBGURZJQJUGELFB-SSDOTTSWSA-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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Frequently Asked Questions

What is the IUPAC name of (3R)-5-(dimethylamino)-3-fluoropentan-2-one?
The IUPAC name of (3R)-5-(dimethylamino)-3-fluoropentan-2-one (CID 139565610) is (3R)-5-(dimethylamino)-3-fluoropentan-2-one.
What is the SMILES notation for (3R)-5-(dimethylamino)-3-fluoropentan-2-one?
The canonical SMILES for (3R)-5-(dimethylamino)-3-fluoropentan-2-one is CC(=O)[C@H](F)CCN(C)C.
What is the InChIKey of (3R)-5-(dimethylamino)-3-fluoropentan-2-one?
The InChIKey is BGURZJQJUGELFB-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H14FNO/c1-6(10)7(8)4-5-9(2)3/h7H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of (3R)-5-(dimethylamino)-3-fluoropentan-2-one?
(3R)-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 (3R)-5-(dimethylamino)-3-fluoropentan-2-one is sourced from PubChem (CID 139565610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).