(3R)-3-amino-2,2-difluoropent-4-en-1-ol

C5H9F2NO — CID 130610318

IUPAC(3R)-3-amino-2,2-difluoropent-4-en-1-ol
SMILESC=C[C@@H](N)C(F)(F)CO
InChIInChI=1S/C5H9F2NO/c1-2-4(8)5(6,7)3-9/h2,4,9H,1,3,8H2/t4-/m1/s1
InChIKeyZYAPRJRHGDJYCC-SCSAIBSYSA-N
MW137.13 g/mol
LogP0.13
Rot. Bonds3

About (3R)-3-amino-2,2-difluoropent-4-en-1-ol

(3R)-3-amino-2,2-difluoropent-4-en-1-ol (PubChem CID 130610318) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is (3R)-3-amino-2,2-difluoropent-4-en-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-2,2-difluoropent-4-en-1-ol
PubChem CID130610318
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name(3R)-3-amino-2,2-difluoropent-4-en-1-ol
SMILESC=C[C@@H](N)C(F)(F)CO
InChIInChI=1S/C5H9F2NO/c1-2-4(8)5(6,7)3-9/h2,4,9H,1,3,8H2/t4-/m1/s1
InChIKeyZYAPRJRHGDJYCC-SCSAIBSYSA-N
XLogP0.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Aminopent-4-en-1-ol
CID 15533288
5-(2,2,2-Trifluoroethoxy)pent-1-en-3-amine
CID 103148009
5-(2,2-Difluoroethoxy)pent-1-en-3-amine
CID 103148870
5-Hydroxypent-1-en-3-ylazanium chloride
CID 88648350
3-Aminopent-4-en-1-ol;hydrochloride
CID 173402906
(3R)-3-aminopent-4-en-1-ol
CID 25419011
(3S)-3-aminopent-4-en-1-ol
CID 40429865

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-2,2-difluoropent-4-en-1-ol?
The IUPAC name of (3R)-3-amino-2,2-difluoropent-4-en-1-ol (CID 130610318) is (3R)-3-amino-2,2-difluoropent-4-en-1-ol.
What is the SMILES notation for (3R)-3-amino-2,2-difluoropent-4-en-1-ol?
The canonical SMILES for (3R)-3-amino-2,2-difluoropent-4-en-1-ol is C=C[C@@H](N)C(F)(F)CO.
What is the InChIKey of (3R)-3-amino-2,2-difluoropent-4-en-1-ol?
The InChIKey is ZYAPRJRHGDJYCC-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9F2NO/c1-2-4(8)5(6,7)3-9/h2,4,9H,1,3,8H2/t4-/m1/s1.
What are the key properties of (3R)-3-amino-2,2-difluoropent-4-en-1-ol?
(3R)-3-amino-2,2-difluoropent-4-en-1-ol has a molecular weight of 137.13 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-2,2-difluoropent-4-en-1-ol is sourced from PubChem (CID 130610318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).