(3S)-3-(fluoroamino)-5-methylhexan-2-one

C7H14FNO — CID 89341492

IUPAC(3S)-3-(fluoroamino)-5-methylhexan-2-one
SMILESCC(=O)[C@H](CC(C)C)NF
InChIInChI=1S/C7H14FNO/c1-5(2)4-7(9-8)6(3)10/h5,7,9H,4H2,1-3H3/t7-/m0/s1
InChIKeyWSEYLNKEIOKDLE-ZETCQYMHSA-N
MW147.19 g/mol
LogP1.46
Rot. Bonds4

About (3S)-3-(fluoroamino)-5-methylhexan-2-one

(3S)-3-(fluoroamino)-5-methylhexan-2-one (PubChem CID 89341492) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (3S)-3-(fluoroamino)-5-methylhexan-2-one.

Molecular Properties

Compound Name(3S)-3-(fluoroamino)-5-methylhexan-2-one
PubChem CID89341492
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(3S)-3-(fluoroamino)-5-methylhexan-2-one
SMILESCC(=O)[C@H](CC(C)C)NF
InChIInChI=1S/C7H14FNO/c1-5(2)4-7(9-8)6(3)10/h5,7,9H,4H2,1-3H3/t7-/m0/s1
InChIKeyWSEYLNKEIOKDLE-ZETCQYMHSA-N
XLogP1.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(fluoroamino)-5-methylhexan-2-one?
The IUPAC name of (3S)-3-(fluoroamino)-5-methylhexan-2-one (CID 89341492) is (3S)-3-(fluoroamino)-5-methylhexan-2-one.
What is the SMILES notation for (3S)-3-(fluoroamino)-5-methylhexan-2-one?
The canonical SMILES for (3S)-3-(fluoroamino)-5-methylhexan-2-one is CC(=O)[C@H](CC(C)C)NF.
What is the InChIKey of (3S)-3-(fluoroamino)-5-methylhexan-2-one?
The InChIKey is WSEYLNKEIOKDLE-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14FNO/c1-5(2)4-7(9-8)6(3)10/h5,7,9H,4H2,1-3H3/t7-/m0/s1.
What are the key properties of (3S)-3-(fluoroamino)-5-methylhexan-2-one?
(3S)-3-(fluoroamino)-5-methylhexan-2-one has a molecular weight of 147.19 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(fluoroamino)-5-methylhexan-2-one is sourced from PubChem (CID 89341492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).