(Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol

C4H8F2N2O — CID 169172850

IUPAC(Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol
SMILESN/C=C(/CO)NC(F)F
InChIInChI=1S/C4H8F2N2O/c5-4(6)8-3(1-7)2-9/h1,4,8-9H,2,7H2/b3-1-
InChIKeyNNAGMSVTRMJTDU-IWQZZHSRSA-N
MW138.12 g/mol
LogP-0.41
Rot. Bonds3

About (Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol

(Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol (PubChem CID 169172850) has the molecular formula C4H8F2N2O and a molecular weight of 138.12 g/mol. Its IUPAC name is (Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol.

Molecular Properties

Compound Name(Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol
PubChem CID169172850
Molecular FormulaC4H8F2N2O
Molecular Weight138.12 g/mol
Exact Mass138.06
IUPAC Name(Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol
SMILESN/C=C(/CO)NC(F)F
InChIInChI=1S/C4H8F2N2O/c5-4(6)8-3(1-7)2-9/h1,4,8-9H,2,7H2/b3-1-
InChIKeyNNAGMSVTRMJTDU-IWQZZHSRSA-N
XLogP-0.41
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-1-amino-3-hydroxyprop-1-en-2-yl]-(difluoromethyl)azanium
CID 169172849
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)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol?
The IUPAC name of (Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol (CID 169172850) is (Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol.
What is the SMILES notation for (Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol?
The canonical SMILES for (Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol is N/C=C(/CO)NC(F)F.
What is the InChIKey of (Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol?
The InChIKey is NNAGMSVTRMJTDU-IWQZZHSRSA-N. The full InChI is InChI=1S/C4H8F2N2O/c5-4(6)8-3(1-7)2-9/h1,4,8-9H,2,7H2/b3-1-.
What are the key properties of (Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol?
(Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol has a molecular weight of 138.12 g/mol, XLogP of -0.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-(difluoromethylamino)prop-2-en-1-ol is sourced from PubChem (CID 169172850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).