(2S,3S)-2,3-dimethylpentanoyl fluoride

C7H13FO — CID 134490235

IUPAC(2S,3S)-2,3-dimethylpentanoyl fluoride
SMILESCC[C@H](C)C(C)C(=O)F
InChIInChI=1S/C7H13FO/c1-4-5(2)6(3)7(8)9/h5-6H,4H2,1-3H3/t5-,6?/m0/s1
InChIKeyOWYNISDNOAFLNU-ZBHICJROSA-N
MW132.18 g/mol
LogP2.16
Rot. Bonds3

About (2S,3S)-2,3-dimethylpentanoyl fluoride

(2S,3S)-2,3-dimethylpentanoyl fluoride (PubChem CID 134490235) has the molecular formula C7H13FO and a molecular weight of 132.18 g/mol. Its IUPAC name is (2S,3S)-2,3-dimethylpentanoyl fluoride.

Molecular Properties

Compound Name(2S,3S)-2,3-dimethylpentanoyl fluoride
PubChem CID134490235
Molecular FormulaC7H13FO
Molecular Weight132.18 g/mol
Exact Mass132.10
IUPAC Name(2S,3S)-2,3-dimethylpentanoyl fluoride
SMILESCC[C@H](C)C(C)C(=O)F
InChIInChI=1S/C7H13FO/c1-4-5(2)6(3)7(8)9/h5-6H,4H2,1-3H3/t5-,6?/m0/s1
InChIKeyOWYNISDNOAFLNU-ZBHICJROSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-2,3-dimethylpentanamide
CID 170847775
2,3-dimethylpentanamide;hydroxylamine
CID 88699485
ethyl 2,3-dimethylpentanoate
CID 55255239
1,1,1-trifluoro-4,5-dimethylheptan-3-one
CID 123736414
tris(carbonofluoridic acid);2-methylbutane
CID 175037504
3,4,5-trimethylheptan-2-one
CID 71402381
ethyl carbonofluoridate;bis(2-methylbutane)
CID 90813116
(4S)-2,3,4-trimethylhex-1-ene
CID 169204479
2-[(2R)-butan-2-yl]propanedioic acid
CID 51381327
2-[2,3-dimethylpentanoyl(ethyl)amino]acetic acid
CID 120519831
2-methyl-3-oxopentanoyl fluoride
CID 174997525
(Z)-4,5-dimethylhept-2-en-3-ol
CID 5366237

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,3-dimethylpentanoyl fluoride?
The IUPAC name of (2S,3S)-2,3-dimethylpentanoyl fluoride (CID 134490235) is (2S,3S)-2,3-dimethylpentanoyl fluoride.
What is the SMILES notation for (2S,3S)-2,3-dimethylpentanoyl fluoride?
The canonical SMILES for (2S,3S)-2,3-dimethylpentanoyl fluoride is CC[C@H](C)C(C)C(=O)F.
What is the InChIKey of (2S,3S)-2,3-dimethylpentanoyl fluoride?
The InChIKey is OWYNISDNOAFLNU-ZBHICJROSA-N. The full InChI is InChI=1S/C7H13FO/c1-4-5(2)6(3)7(8)9/h5-6H,4H2,1-3H3/t5-,6?/m0/s1.
What are the key properties of (2S,3S)-2,3-dimethylpentanoyl fluoride?
(2S,3S)-2,3-dimethylpentanoyl fluoride has a molecular weight of 132.18 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,3-dimethylpentanoyl fluoride is sourced from PubChem (CID 134490235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).