2-fluoro-2-(methylamino)pent-4-en-1-ol

C6H12FNO — CID 139527428

IUPAC2-fluoro-2-(methylamino)pent-4-en-1-ol
SMILESC=CCC(F)(CO)NC
InChIInChI=1S/C6H12FNO/c1-3-4-6(7,5-9)8-2/h3,8-9H,1,4-5H2,2H3
InChIKeyGRQJQJMCDUGXFA-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.44
Rot. Bonds4

About 2-fluoro-2-(methylamino)pent-4-en-1-ol

2-fluoro-2-(methylamino)pent-4-en-1-ol (PubChem CID 139527428) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 2-fluoro-2-(methylamino)pent-4-en-1-ol.

Molecular Properties

Compound Name2-fluoro-2-(methylamino)pent-4-en-1-ol
PubChem CID139527428
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name2-fluoro-2-(methylamino)pent-4-en-1-ol
SMILESC=CCC(F)(CO)NC
InChIInChI=1S/C6H12FNO/c1-3-4-6(7,5-9)8-2/h3,8-9H,1,4-5H2,2H3
InChIKeyGRQJQJMCDUGXFA-UHFFFAOYSA-N
XLogP0.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-pent-4-en-2-yl]amino]ethanol
CID 134864390
(E,2S)-5-fluoro-1-(methylamino)pent-4-en-2-ol
CID 141800812
(S)-2-(methylamino)pent-4-en-1-ol
CID 57947372
2-(But-3-enylamino)propan-1-ol
CID 64314183
2-(Methylamino)pent-4-en-1-ol
CID 76654724
(S)-2-(methylamino)pent-4-en-1-ol hydrochloride
CID 86635660
2-(Methylamino)pent-4-en-1-ol;hydrochloride
CID 87078532
2-(2-Hydroxyethylamino)pent-4-en-1-ol
CID 87276364
2-(Methylamino)hex-5-en-1-ol
CID 89937108
2-(Methylamino)-2-prop-2-enylpropane-1,3-diol
CID 170357048
(2S)-2-(but-3-enylamino)propan-1-ol
CID 172108263
3-(Methylamino)hex-5-en-2-ol
CID 13892557

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(methylamino)pent-4-en-1-ol?
The IUPAC name of 2-fluoro-2-(methylamino)pent-4-en-1-ol (CID 139527428) is 2-fluoro-2-(methylamino)pent-4-en-1-ol.
What is the SMILES notation for 2-fluoro-2-(methylamino)pent-4-en-1-ol?
The canonical SMILES for 2-fluoro-2-(methylamino)pent-4-en-1-ol is C=CCC(F)(CO)NC.
What is the InChIKey of 2-fluoro-2-(methylamino)pent-4-en-1-ol?
The InChIKey is GRQJQJMCDUGXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-3-4-6(7,5-9)8-2/h3,8-9H,1,4-5H2,2H3.
What are the key properties of 2-fluoro-2-(methylamino)pent-4-en-1-ol?
2-fluoro-2-(methylamino)pent-4-en-1-ol has a molecular weight of 133.17 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(methylamino)pent-4-en-1-ol is sourced from PubChem (CID 139527428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).