(2S)-2-(methylamino)pentanoyl fluoride

C6H12FNO — CID 175991626

IUPAC(2S)-2-(methylamino)pentanoyl fluoride
SMILESCCC[C@H](NC)C(=O)F
InChIInChI=1S/C6H12FNO/c1-3-4-5(8-2)6(7)9/h5,8H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyGOYWQTHMFMPECM-YFKPBYRVSA-N
MW133.17 g/mol
LogP0.87
Rot. Bonds4

About (2S)-2-(methylamino)pentanoyl fluoride

(2S)-2-(methylamino)pentanoyl fluoride (PubChem CID 175991626) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (2S)-2-(methylamino)pentanoyl fluoride.

Molecular Properties

Compound Name(2S)-2-(methylamino)pentanoyl fluoride
PubChem CID175991626
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(2S)-2-(methylamino)pentanoyl fluoride
SMILESCCC[C@H](NC)C(=O)F
InChIInChI=1S/C6H12FNO/c1-3-4-5(8-2)6(7)9/h5,8H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyGOYWQTHMFMPECM-YFKPBYRVSA-N
XLogP0.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,5-Difluoro-3-(methylamino)pentan-2-one
CID 59493768
2-(Methylamino)pentan-3-one
CID 12247385
1-Fluoro-3-(methylamino)pentan-2-one
CID 21137007
(2S)-2-(methylamino)propanoyl fluoride
CID 57602084
2-(Methylamino)propanoyl fluoride
CID 76622877
5,5,5-Trifluoro-2-(methylamino)pentanal
CID 118473307
(3S)-5,5,5-trifluoro-3-(methylamino)pentan-2-one
CID 121246459
(4S)-2-fluoro-4-(methylamino)pentan-3-one
CID 122674507
6,6,6-Trifluoro-3-(methylamino)hexan-2-one
CID 130440232
2-(Methylamino)pentanoyl fluoride
CID 170597549
(2S)-2-aminopentanoyl fluoride
CID 175991681
CID 166448994
CID 166448994

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)pentanoyl fluoride?
The IUPAC name of (2S)-2-(methylamino)pentanoyl fluoride (CID 175991626) is (2S)-2-(methylamino)pentanoyl fluoride.
What is the SMILES notation for (2S)-2-(methylamino)pentanoyl fluoride?
The canonical SMILES for (2S)-2-(methylamino)pentanoyl fluoride is CCC[C@H](NC)C(=O)F.
What is the InChIKey of (2S)-2-(methylamino)pentanoyl fluoride?
The InChIKey is GOYWQTHMFMPECM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12FNO/c1-3-4-5(8-2)6(7)9/h5,8H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of (2S)-2-(methylamino)pentanoyl fluoride?
(2S)-2-(methylamino)pentanoyl fluoride has a molecular weight of 133.17 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)pentanoyl fluoride is sourced from PubChem (CID 175991626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).