[1-(cycloocten-1-yl)-4,4,4-trifluorobutyl]hydrazine

C12H21F3N2 — CID 106649286

IUPAC[1-(cycloocten-1-yl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1=CCCCCCC1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)9-8-11(17-16)10-6-4-2-1-3-5-7-10/h6,11,17H,1-5,7-9,16H2
InChIKeyCAUOTUXOPNTQAJ-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.44
Rot. Bonds4

About [1-(cycloocten-1-yl)-4,4,4-trifluorobutyl]hydrazine

[1-(cycloocten-1-yl)-4,4,4-trifluorobutyl]hydrazine (PubChem CID 106649286) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is [1-(cycloocten-1-yl)-4,4,4-trifluorobutyl]hydrazine.

Molecular Properties

Compound Name[1-(cycloocten-1-yl)-4,4,4-trifluorobutyl]hydrazine
PubChem CID106649286
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name[1-(cycloocten-1-yl)-4,4,4-trifluorobutyl]hydrazine
SMILESNNC(CCC(F)(F)F)C1=CCCCCCC1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)9-8-11(17-16)10-6-4-2-1-3-5-7-10/h6,11,17H,1-5,7-9,16H2
InChIKeyCAUOTUXOPNTQAJ-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-5,5-difluoro-3-hexylpent-2-ene-1,4-diamine
CID 22825120
5,5-Difluoro-3-hexylpent-2-ene-1,4-diamine
CID 54552133
(E)-6,6-difluoro-2-hexylhex-2-ene-1,5-diamine
CID 88698954
[(4Z)-6,6-difluorocyclooct-4-en-1-yl]hydrazine
CID 156051063
1,1,1-Trifluoronon-8-en-4-ylhydrazine
CID 105248898
(1,1,1-Trifluoro-7-methyloct-7-en-4-yl)hydrazine
CID 105248965
(1,1,1-Trifluoro-6-methylideneoctan-4-yl)hydrazine
CID 105249074
(7,7,7-Trifluoro-2-methylhept-2-en-4-yl)hydrazine
CID 105249101
[1-(Cyclohexen-1-yl)-5,5,5-trifluoropentan-2-yl]hydrazine
CID 105269859
[1-(Cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine
CID 105269964
[1-(4,4-Difluorocyclohexyl)-3-methylbut-2-enyl]hydrazine
CID 105319872
[1-(Cyclohexen-1-yl)-3,3,3-trifluoropropyl]hydrazine
CID 106648703

Frequently Asked Questions

What is the IUPAC name of [1-(cycloocten-1-yl)-4,4,4-trifluorobutyl]hydrazine?
The IUPAC name of [1-(cycloocten-1-yl)-4,4,4-trifluorobutyl]hydrazine (CID 106649286) is [1-(cycloocten-1-yl)-4,4,4-trifluorobutyl]hydrazine.
What is the SMILES notation for [1-(cycloocten-1-yl)-4,4,4-trifluorobutyl]hydrazine?
The canonical SMILES for [1-(cycloocten-1-yl)-4,4,4-trifluorobutyl]hydrazine is NNC(CCC(F)(F)F)C1=CCCCCCC1.
What is the InChIKey of [1-(cycloocten-1-yl)-4,4,4-trifluorobutyl]hydrazine?
The InChIKey is CAUOTUXOPNTQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c13-12(14,15)9-8-11(17-16)10-6-4-2-1-3-5-7-10/h6,11,17H,1-5,7-9,16H2.
What are the key properties of [1-(cycloocten-1-yl)-4,4,4-trifluorobutyl]hydrazine?
[1-(cycloocten-1-yl)-4,4,4-trifluorobutyl]hydrazine has a molecular weight of 250.31 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cycloocten-1-yl)-4,4,4-trifluorobutyl]hydrazine is sourced from PubChem (CID 106649286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).