(2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol

C6H11F2NO — CID 169181829

IUPAC(2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol
SMILESC=C[C@@H](CO)NCC(F)F
InChIInChI=1S/C6H11F2NO/c1-2-5(4-10)9-3-6(7)8/h2,5-6,9-10H,1,3-4H2/t5-/m0/s1
InChIKeyZSRXYAANMZOEIE-YFKPBYRVSA-N
MW151.16 g/mol
LogP0.39
Rot. Bonds5

About (2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol

(2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol (PubChem CID 169181829) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is (2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol.

Molecular Properties

Compound Name(2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol
PubChem CID169181829
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name(2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol
SMILESC=C[C@@H](CO)NCC(F)F
InChIInChI=1S/C6H11F2NO/c1-2-5(4-10)9-3-6(7)8/h2,5-6,9-10H,1,3-4H2/t5-/m0/s1
InChIKeyZSRXYAANMZOEIE-YFKPBYRVSA-N
XLogP0.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-hydroxyethylamino)but-3-en-1-ol
CID 19018089
(2S)-2-(2,2-difluoroethylamino)-3-(difluoromethyl)but-3-en-1-ol
CID 169182459
1-hydroxybut-3-en-2-ylurea
CID 88808839
methyl N-[(2S)-1-hydroxybut-3-en-2-yl]carbamate
CID 55299333
2-chloro-N-[(2S)-1-hydroxybut-3-en-2-yl]acetamide
CID 154931454
(2S)-2-anilinobut-3-en-1-ol
CID 130626811
2-[(6-fluoro-2-pyridinyl)amino]but-3-en-1-ol
CID 126987371
(2R)-2-[2-(phenylmethoxymethyl)prop-2-enylamino]but-3-en-1-ol
CID 25105110
2-(2,2-difluoroethylamino)-3-phenylpropan-1-ol
CID 63261549
(3R)-3-fluoropent-4-en-1-ol
CID 101459116
N-(2,2-difluoroethyl)-3-methylbutan-2-amine
CID 60922159
N-(2,2-difluoroethyl)-2,2-difluoroethanamine
CID 23323251

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol?
The IUPAC name of (2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol (CID 169181829) is (2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol.
What is the SMILES notation for (2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol?
The canonical SMILES for (2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol is C=C[C@@H](CO)NCC(F)F.
What is the InChIKey of (2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol?
The InChIKey is ZSRXYAANMZOEIE-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-2-5(4-10)9-3-6(7)8/h2,5-6,9-10H,1,3-4H2/t5-/m0/s1.
What are the key properties of (2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol?
(2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol has a molecular weight of 151.16 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-difluoroethylamino)but-3-en-1-ol is sourced from PubChem (CID 169181829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).