1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine

C10H15F3N2 — CID 105315599

IUPAC1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine
SMILESC#CC(NN)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2/c1-2-9(15-14)7-4-3-5-8(6-7)10(11,12)13/h1,7-9,15H,3-6,14H2
InChIKeyKBUBKMGCBWMCNL-UHFFFAOYSA-N
MW220.24 g/mol
LogP1.82
Rot. Bonds2

About 1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine

1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine (PubChem CID 105315599) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine
PubChem CID105315599
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine
SMILESC#CC(NN)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H15F3N2/c1-2-9(15-14)7-4-3-5-8(6-7)10(11,12)13/h1,7-9,15H,3-6,14H2
InChIKeyKBUBKMGCBWMCNL-UHFFFAOYSA-N
XLogP1.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.82
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[(3-methylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methyl]hydrazine
CID 105313580
[(1R,3S)-3-(trifluoromethyl)cyclohexyl]hydrazine
CID 124506889
(3S)-1-propan-2-yl-3-(trifluoromethyl)cyclohexane
CID 146632246
cyclohexyl-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105079907
(3-ethylcyclohexyl)-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105156191
trans-(1R,3R)-3-(trifluoromethyl)-N-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]cyclohexan-1-amine
CID 39870295
1-(1-bromoethyl)-3-(trifluoromethyl)cyclohexane
CID 66471870
N-propyl-1-[3-(trifluoromethyl)cyclohexyl]but-3-yn-1-amine
CID 105077363
N-[2-cyclobutyl-1-[3-(trifluoromethyl)cyclohexyl]ethyl]propan-1-amine
CID 105151620
3-amino-1,1,1-trifluoro-3-[3-(trifluoromethyl)cyclohexyl]propan-2-ol
CID 87873280
[2-(4-fluorophenyl)-1-[3-(trifluoromethyl)cyclohexyl]ethyl]hydrazine
CID 105283791
1-[3-(trifluoromethyl)cyclohexyl]pent-3-yn-1-amine
CID 105112547

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine?
The IUPAC name of 1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine (CID 105315599) is 1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine.
What is the SMILES notation for 1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine?
The canonical SMILES for 1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine is C#CC(NN)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine?
The InChIKey is KBUBKMGCBWMCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-2-9(15-14)7-4-3-5-8(6-7)10(11,12)13/h1,7-9,15H,3-6,14H2.
What are the key properties of 1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine?
1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine has a molecular weight of 220.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)cyclohexyl]prop-2-ynylhydrazine is sourced from PubChem (CID 105315599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).