[1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine

C10H12ClF3N2 — CID 105206174

IUPAC[1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
SMILESNNC(Cc1ccc(Cl)cc1)CC(F)(F)F
InChIInChI=1S/C10H12ClF3N2/c11-8-3-1-7(2-4-8)5-9(16-15)6-10(12,13)14/h1-4,9,16H,5-6,15H2
InChIKeyOOQWZTHTOCBKJS-UHFFFAOYSA-N
MW252.67 g/mol
LogP2.67
Rot. Bonds4

About [1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine

[1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine (PubChem CID 105206174) has the molecular formula C10H12ClF3N2 and a molecular weight of 252.67 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
PubChem CID105206174
Molecular FormulaC10H12ClF3N2
Molecular Weight252.67 g/mol
Exact Mass252.06
IUPAC Name[1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
SMILESNNC(Cc1ccc(Cl)cc1)CC(F)(F)F
InChIInChI=1S/C10H12ClF3N2/c11-8-3-1-7(2-4-8)5-9(16-15)6-10(12,13)14/h1-4,9,16H,5-6,15H2
InChIKeyOOQWZTHTOCBKJS-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.67
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-chloro-3-fluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 107894856
[4,4,4-trifluoro-1-(4-iodophenyl)butan-2-yl]hydrazine
CID 105205984
[1-(2,5-dichlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105206142
4-(4-chlorophenyl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259401
[1-(2,6-difluorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105206168
[1-(3,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105205945
[1-(4-chlorophenyl)-4-cyclopropylbutan-2-yl]hydrazine
CID 105197715
[1-(4-chlorophenyl)-3-(2-fluorophenyl)propan-2-yl]hydrazine
CID 105197647
[1-(3-bromo-4-fluorophenyl)-3-(4-chlorophenyl)propan-2-yl]hydrazine
CID 105197541
(4,4,4-trifluoro-1-pyridin-3-ylbutan-2-yl)hydrazine
CID 105206014
[1-(4-chlorophenyl)-3-(furan-3-yl)propan-2-yl]hydrazine
CID 105197643
[1-(4-chlorophenoxy)-3-(4-ethylphenyl)propan-2-yl]hydrazine
CID 105287885

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine?
The IUPAC name of [1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine (CID 105206174) is [1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine?
The canonical SMILES for [1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine is NNC(Cc1ccc(Cl)cc1)CC(F)(F)F.
What is the InChIKey of [1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine?
The InChIKey is OOQWZTHTOCBKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2/c11-8-3-1-7(2-4-8)5-9(16-15)6-10(12,13)14/h1-4,9,16H,5-6,15H2.
What are the key properties of [1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine?
[1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine has a molecular weight of 252.67 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine is sourced from PubChem (CID 105206174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).