[1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

C12H23F3N2O — CID 103151444

IUPAC[1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)C1CCCCCC1
InChIInChI=1S/C12H23F3N2O/c13-12(14,15)9-18-8-7-11(17-16)10-5-3-1-2-4-6-10/h10-11,17H,1-9,16H2
InChIKeyMQHBYTXWJGFSRA-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.76
Rot. Bonds6

About [1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine

[1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (PubChem CID 103151444) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is [1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.

Molecular Properties

Compound Name[1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
PubChem CID103151444
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name[1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
SMILESNNC(CCOCC(F)(F)F)C1CCCCCC1
InChIInChI=1S/C12H23F3N2O/c13-12(14,15)9-18-8-7-11(17-16)10-5-3-1-2-4-6-10/h10-11,17H,1-9,16H2
InChIKeyMQHBYTXWJGFSRA-UHFFFAOYSA-N
XLogP2.76
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(2,2,2-Trifluoroethoxy)propyl]cycloheptan-1-amine
CID 64503206
(8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-yl)hydrazine
CID 103025443
1-Cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148108
1-Cycloheptyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 103149001
[7-Methyl-1-(2,2,2-trifluoroethoxy)octan-3-yl]hydrazine
CID 103151446
[5-Methyl-1-(2,2,2-trifluoroethoxy)heptan-3-yl]hydrazine
CID 103151447
[1-Cyclopropyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151457
[1-Cyclobutyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine
CID 103151497
[1-Cyclobutyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151501
[1-Cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151504
[5-Ethyl-1-(2,2,2-trifluoroethoxy)nonan-3-yl]hydrazine
CID 103151536
[1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-2-yl]hydrazine
CID 103151539

Frequently Asked Questions

What is the IUPAC name of [1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The IUPAC name of [1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine (CID 103151444) is [1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine.
What is the SMILES notation for [1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The canonical SMILES for [1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is NNC(CCOCC(F)(F)F)C1CCCCCC1.
What is the InChIKey of [1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
The InChIKey is MQHBYTXWJGFSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c13-12(14,15)9-18-8-7-11(17-16)10-5-3-1-2-4-6-10/h10-11,17H,1-9,16H2.
What are the key properties of [1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine?
[1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine has a molecular weight of 268.32 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propyl]hydrazine is sourced from PubChem (CID 103151444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).