2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine

C7H15FN2O2 — CID 57205368

IUPAC2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine
SMILESCOC=C(C)NOCC(F)CN
InChIInChI=1S/C7H15FN2O2/c1-6(4-11-2)10-12-5-7(8)3-9/h4,7,10H,3,5,9H2,1-2H3
InChIKeyOGNWNSBFKKEYSX-UHFFFAOYSA-N
MW178.21 g/mol
LogP0.31
Rot. Bonds6

About 2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine

2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine (PubChem CID 57205368) has the molecular formula C7H15FN2O2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine
PubChem CID57205368
Molecular FormulaC7H15FN2O2
Molecular Weight178.21 g/mol
Exact Mass178.11
IUPAC Name2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine
SMILESCOC=C(C)NOCC(F)CN
InChIInChI=1S/C7H15FN2O2/c1-6(4-11-2)10-12-5-7(8)3-9/h4,7,10H,3,5,9H2,1-2H3
InChIKeyOGNWNSBFKKEYSX-UHFFFAOYSA-N
XLogP0.31
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-methoxy-2-methylprop-2-en-1-amine
CID 171800320
2-fluoro-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 83853882
2-fluoro-3-(4-methoxyphenoxy)propan-1-amine
CID 105452034
3-butoxy-2-fluoropropan-1-amine
CID 155690317
2-amino-1-[[(Z)-1,3-dimethoxybut-1-en-2-yl]amino]ethanol
CID 166849383
methyl 2-[(3-amino-2-hydroxypropoxy)amino]prop-2-enoate
CID 57138339
(E)-1-methoxyprop-1-en-2-amine
CID 143063375
methyl (2E)-4,4-difluoro-2-(methoxymethylidene)butanoate
CID 158359703
1-methoxy-2-methylprop-1-ene
CID 551188
2-fluorobutan-1-amine;hydrochloride
CID 71755419
ethane;(Z)-1-methoxyprop-1-en-2-amine
CID 143631122
2-(1,2-dimethoxyethenylsilyl)ethanamine
CID 123537400

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine?
The IUPAC name of 2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine (CID 57205368) is 2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine.
What is the SMILES notation for 2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine?
The canonical SMILES for 2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine is COC=C(C)NOCC(F)CN.
What is the InChIKey of 2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine?
The InChIKey is OGNWNSBFKKEYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2O2/c1-6(4-11-2)10-12-5-7(8)3-9/h4,7,10H,3,5,9H2,1-2H3.
What are the key properties of 2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine?
2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine has a molecular weight of 178.21 g/mol, XLogP of 0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(1-methoxyprop-1-en-2-ylamino)oxypropan-1-amine is sourced from PubChem (CID 57205368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).