[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium

C4H9F2N2O+ — CID 169172849

IUPAC[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium
SMILESN/C=C(/CO)[NH2+]C(F)F
InChIInChI=1S/C4H8F2N2O/c5-4(6)8-3(1-7)2-9/h1,4,8-9H,2,7H2/p+1/b3-1-
InChIKeyNNAGMSVTRMJTDU-IWQZZHSRSA-O
MW139.13 g/mol
LogP-1.44
Rot. Bonds3

About [(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium

[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium (PubChem CID 169172849) has the molecular formula C4H9F2N2O+ and a molecular weight of 139.13 g/mol. Its IUPAC name is [(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium.

Molecular Properties

Compound Name[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium
PubChem CID169172849
Molecular FormulaC4H9F2N2O+
Molecular Weight139.13 g/mol
Exact Mass139.07
IUPAC Name[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium
SMILESN/C=C(/CO)[NH2+]C(F)F
InChIInChI=1S/C4H8F2N2O/c5-4(6)8-3(1-7)2-9/h1,4,8-9H,2,7H2/p+1/b3-1-
InChIKeyNNAGMSVTRMJTDU-IWQZZHSRSA-O
XLogP-1.44
TPSA62.86 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-amino-4-(difluoromethylamino)but-3-en-2-ol
CID 130348332
2-[[(Z)-3,3,3-trifluoro-2-(methylamino)prop-1-enyl]amino]propan-1-ol
CID 154953448
2-(1-Fluoropropan-2-ylamino)prop-2-en-1-ol
CID 166898382
2-(2-Fluoroethylamino)prop-2-en-1-ol
CID 166898417
(Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol
CID 169172850
2-[[(Z)-2-aminoprop-1-enyl]amino]ethanol
CID 87387433
(Z)-2,3-bis(methylamino)prop-2-en-1-ol
CID 88953890
(Z)-3-amino-2-(methylamino)prop-2-en-1-ol
CID 89206103
(Z)-2-amino-3-(methylamino)prop-2-en-1-ol
CID 147935369
(Z)-2-amino-3-(propylamino)prop-2-en-1-ol
CID 155484558
2-[[(E)-2-aminoprop-1-enyl]amino]ethanol
CID 156345569
(Z)-2-amino-3-(methylamino)prop-2-en-1-ol;ethane
CID 172240081

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium?
The IUPAC name of [(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium (CID 169172849) is [(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium.
What is the SMILES notation for [(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium?
The canonical SMILES for [(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium is N/C=C(/CO)[NH2+]C(F)F.
What is the InChIKey of [(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium?
The InChIKey is NNAGMSVTRMJTDU-IWQZZHSRSA-O. The full InChI is InChI=1S/C4H8F2N2O/c5-4(6)8-3(1-7)2-9/h1,4,8-9H,2,7H2/p+1/b3-1-.
What are the key properties of [(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium?
[(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium has a molecular weight of 139.13 g/mol, XLogP of -1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium is sourced from PubChem (CID 169172849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).