(3S)-4-cyclohexyl-1,1,1-trifluoro-3-hydrazinylbutan-2-one

C10H17F3N2O — CID 162565556

IUPAC(3S)-4-cyclohexyl-1,1,1-trifluoro-3-hydrazinylbutan-2-one
SMILESNN[C@@H](CC1CCCCC1)C(=O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)9(16)8(15-14)6-7-4-2-1-3-5-7/h7-8,15H,1-6,14H2/t8-/m0/s1
InChIKeySZBJXPFGFKRQKG-QMMMGPOBSA-N
MW238.25 g/mol
LogP1.92
Rot. Bonds4

About (3S)-4-cyclohexyl-1,1,1-trifluoro-3-hydrazinylbutan-2-one

(3S)-4-cyclohexyl-1,1,1-trifluoro-3-hydrazinylbutan-2-one (PubChem CID 162565556) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is (3S)-4-cyclohexyl-1,1,1-trifluoro-3-hydrazinylbutan-2-one.

Molecular Properties

Compound Name(3S)-4-cyclohexyl-1,1,1-trifluoro-3-hydrazinylbutan-2-one
PubChem CID162565556
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name(3S)-4-cyclohexyl-1,1,1-trifluoro-3-hydrazinylbutan-2-one
SMILESNN[C@@H](CC1CCCCC1)C(=O)C(F)(F)F
InChIInChI=1S/C10H17F3N2O/c11-10(12,13)9(16)8(15-14)6-7-4-2-1-3-5-7/h7-8,15H,1-6,14H2/t8-/m0/s1
InChIKeySZBJXPFGFKRQKG-QMMMGPOBSA-N
XLogP1.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.92
H-Bond Donors ≤ 52
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-cyclohexyl-1,1,1-trifluoro-3-hydrazinylbutan-2-one?
The IUPAC name of (3S)-4-cyclohexyl-1,1,1-trifluoro-3-hydrazinylbutan-2-one (CID 162565556) is (3S)-4-cyclohexyl-1,1,1-trifluoro-3-hydrazinylbutan-2-one.
What is the SMILES notation for (3S)-4-cyclohexyl-1,1,1-trifluoro-3-hydrazinylbutan-2-one?
The canonical SMILES for (3S)-4-cyclohexyl-1,1,1-trifluoro-3-hydrazinylbutan-2-one is NN[C@@H](CC1CCCCC1)C(=O)C(F)(F)F.
What is the InChIKey of (3S)-4-cyclohexyl-1,1,1-trifluoro-3-hydrazinylbutan-2-one?
The InChIKey is SZBJXPFGFKRQKG-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17F3N2O/c11-10(12,13)9(16)8(15-14)6-7-4-2-1-3-5-7/h7-8,15H,1-6,14H2/t8-/m0/s1.
What are the key properties of (3S)-4-cyclohexyl-1,1,1-trifluoro-3-hydrazinylbutan-2-one?
(3S)-4-cyclohexyl-1,1,1-trifluoro-3-hydrazinylbutan-2-one has a molecular weight of 238.25 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-cyclohexyl-1,1,1-trifluoro-3-hydrazinylbutan-2-one is sourced from PubChem (CID 162565556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).