(3R)-3-fluorobutan-2-one

C4H7FO — CID 638120

IUPAC(3R)-3-fluorobutan-2-one
SMILESCC(=O)[C@@H](C)F
InChIInChI=1S/C4H7FO/c1-3(5)4(2)6/h3H,1-2H3/t3-/m1/s1
InChIKeyLJOQCXPELWJBRK-GSVOUGTGSA-N
MW90.10 g/mol
LogP0.93
Rot. Bonds1

About (3R)-3-fluorobutan-2-one

(3R)-3-fluorobutan-2-one (PubChem CID 638120) has the molecular formula C4H7FO and a molecular weight of 90.10 g/mol. Its IUPAC name is (3R)-3-fluorobutan-2-one.

Molecular Properties

Compound Name(3R)-3-fluorobutan-2-one
PubChem CID638120
Molecular FormulaC4H7FO
Molecular Weight90.10 g/mol
Exact Mass90.05
IUPAC Name(3R)-3-fluorobutan-2-one
SMILESCC(=O)[C@@H](C)F
InChIInChI=1S/C4H7FO/c1-3(5)4(2)6/h3H,1-2H3/t3-/m1/s1
InChIKeyLJOQCXPELWJBRK-GSVOUGTGSA-N
XLogP0.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.10
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluorobutan-2-one?
The IUPAC name of (3R)-3-fluorobutan-2-one (CID 638120) is (3R)-3-fluorobutan-2-one.
What is the SMILES notation for (3R)-3-fluorobutan-2-one?
The canonical SMILES for (3R)-3-fluorobutan-2-one is CC(=O)[C@@H](C)F.
What is the InChIKey of (3R)-3-fluorobutan-2-one?
The InChIKey is LJOQCXPELWJBRK-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H7FO/c1-3(5)4(2)6/h3H,1-2H3/t3-/m1/s1.
What are the key properties of (3R)-3-fluorobutan-2-one?
(3R)-3-fluorobutan-2-one has a molecular weight of 90.10 g/mol, XLogP of 0.93, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluorobutan-2-one is sourced from PubChem (CID 638120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).