[1-(cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine

C12H21F3N2 — CID 105269964

IUPAC[1-(cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine
SMILESNNC(CCCC(F)(F)F)CC1=CCCCC1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)8-4-7-11(17-16)9-10-5-2-1-3-6-10/h5,11,17H,1-4,6-9,16H2
InChIKeyLJAQDDYCGGNPRJ-UHFFFAOYSA-N
MW250.31 g/mol
LogP3.44
Rot. Bonds6

About [1-(cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine

[1-(cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine (PubChem CID 105269964) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is [1-(cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine
PubChem CID105269964
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC Name[1-(cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine
SMILESNNC(CCCC(F)(F)F)CC1=CCCCC1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)8-4-7-11(17-16)9-10-5-2-1-3-6-10/h5,11,17H,1-4,6-9,16H2
InChIKeyLJAQDDYCGGNPRJ-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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

N-methylmethanamine;[3-(trifluoromethyl)cyclohex-3-en-1-yl]hydrazine
CID 142330392
[(4Z)-6,6-difluorocyclooct-4-en-1-yl]hydrazine
CID 156051063
4-(4,4,4-Trifluorobutyl)cyclohex-3-en-1-amine
CID 83261254
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
[3-Methyl-1-[3-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine
CID 105319867
[1-(4,4-Difluorocyclohexyl)-3-methylbut-2-enyl]hydrazine
CID 105319872
[3-Methyl-1-[4-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine
CID 105319898
[3-Methyl-1-[2-(trifluoromethyl)cyclohexyl]but-2-enyl]hydrazine
CID 105319944

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine?
The IUPAC name of [1-(cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine (CID 105269964) is [1-(cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine.
What is the SMILES notation for [1-(cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine?
The canonical SMILES for [1-(cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine is NNC(CCCC(F)(F)F)CC1=CCCCC1.
What is the InChIKey of [1-(cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine?
The InChIKey is LJAQDDYCGGNPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c13-12(14,15)8-4-7-11(17-16)9-10-5-2-1-3-6-10/h5,11,17H,1-4,6-9,16H2.
What are the key properties of [1-(cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine?
[1-(cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine has a molecular weight of 250.31 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexen-1-yl)-6,6,6-trifluorohexan-2-yl]hydrazine is sourced from PubChem (CID 105269964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).