(3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride

C4H10ClF3N2O — CID 172915873

IUPAC(3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride
SMILESCl.NN[C@@H](CCO)C(F)(F)F
InChIInChI=1S/C4H9F3N2O.ClH/c5-4(6,7)3(9-8)1-2-10;/h3,9-10H,1-2,8H2;1H/t3-;/m0./s1
InChIKeyYWGMRZZVDAPPPB-DFWYDOINSA-N
MW194.58 g/mol
LogP0.18
Rot. Bonds3

About (3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride

(3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride (PubChem CID 172915873) has the molecular formula C4H10ClF3N2O and a molecular weight of 194.58 g/mol. Its IUPAC name is (3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride
PubChem CID172915873
Molecular FormulaC4H10ClF3N2O
Molecular Weight194.58 g/mol
Exact Mass194.04
IUPAC Name(3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride
SMILESCl.NN[C@@H](CCO)C(F)(F)F
InChIInChI=1S/C4H9F3N2O.ClH/c5-4(6,7)3(9-8)1-2-10;/h3,9-10H,1-2,8H2;1H/t3-;/m0./s1
InChIKeyYWGMRZZVDAPPPB-DFWYDOINSA-N
XLogP0.18
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.58
LogP ≤ 50.18
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 (3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride?
The IUPAC name of (3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride (CID 172915873) is (3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride?
The canonical SMILES for (3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride is Cl.NN[C@@H](CCO)C(F)(F)F.
What is the InChIKey of (3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride?
The InChIKey is YWGMRZZVDAPPPB-DFWYDOINSA-N. The full InChI is InChI=1S/C4H9F3N2O.ClH/c5-4(6,7)3(9-8)1-2-10;/h3,9-10H,1-2,8H2;1H/t3-;/m0./s1.
What are the key properties of (3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride?
(3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride has a molecular weight of 194.58 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4,4,4-trifluoro-3-hydrazinylbutan-1-ol;hydrochloride is sourced from PubChem (CID 172915873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).