(2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol

C5H11F3N2O — CID 42632352

IUPAC(2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol
SMILESC[C@@H]([C@@H](CO)NN)C(F)(F)F
InChIInChI=1S/C5H11F3N2O/c1-3(5(6,7)8)4(2-11)10-9/h3-4,10-11H,2,9H2,1H3/t3-,4+/m0/s1
InChIKeyJHGCLVDNTOBCIQ-IUYQGCFVSA-N
MW172.15 g/mol
LogP0.01
Rot. Bonds3

About (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol

(2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol (PubChem CID 42632352) has the molecular formula C5H11F3N2O and a molecular weight of 172.15 g/mol. Its IUPAC name is (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol
PubChem CID42632352
Molecular FormulaC5H11F3N2O
Molecular Weight172.15 g/mol
Exact Mass172.08
IUPAC Name(2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol
SMILESC[C@@H]([C@@H](CO)NN)C(F)(F)F
InChIInChI=1S/C5H11F3N2O/c1-3(5(6,7)8)4(2-11)10-9/h3-4,10-11H,2,9H2,1H3/t3-,4+/m0/s1
InChIKeyJHGCLVDNTOBCIQ-IUYQGCFVSA-N
XLogP0.01
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol?
The IUPAC name of (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol (CID 42632352) is (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol.
What is the SMILES notation for (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol?
The canonical SMILES for (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol is C[C@@H]([C@@H](CO)NN)C(F)(F)F.
What is the InChIKey of (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol?
The InChIKey is JHGCLVDNTOBCIQ-IUYQGCFVSA-N. The full InChI is InChI=1S/C5H11F3N2O/c1-3(5(6,7)8)4(2-11)10-9/h3-4,10-11H,2,9H2,1H3/t3-,4+/m0/s1.
What are the key properties of (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol?
(2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol has a molecular weight of 172.15 g/mol, XLogP of 0.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-4,4,4-trifluoro-2-hydrazinyl-3-methylbutan-1-ol is sourced from PubChem (CID 42632352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).