1-(2,2,2-trifluoroethoxy)dodecan-3-ylhydrazine

C14H29F3N2O — CID 103151591

IUPAC1-(2,2,2-trifluoroethoxy)dodecan-3-ylhydrazine
SMILESCCCCCCCCCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C14H29F3N2O/c1-2-3-4-5-6-7-8-9-13(19-18)10-11-20-12-14(15,16)17/h13,19H,2-12,18H2,1H3
InChIKeyWXQHRJIIYAJACX-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.93
Rot. Bonds13

About 1-(2,2,2-trifluoroethoxy)dodecan-3-ylhydrazine

1-(2,2,2-trifluoroethoxy)dodecan-3-ylhydrazine (PubChem CID 103151591) has the molecular formula C14H29F3N2O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)dodecan-3-ylhydrazine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)dodecan-3-ylhydrazine
PubChem CID103151591
Molecular FormulaC14H29F3N2O
Molecular Weight298.39 g/mol
Exact Mass298.22
IUPAC Name1-(2,2,2-trifluoroethoxy)dodecan-3-ylhydrazine
SMILESCCCCCCCCCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C14H29F3N2O/c1-2-3-4-5-6-7-8-9-13(19-18)10-11-20-12-14(15,16)17/h13,19H,2-12,18H2,1H3
InChIKeyWXQHRJIIYAJACX-UHFFFAOYSA-N
XLogP3.93
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.93
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

[6,6,6-Trifluoro-1-(2-methoxyethoxy)hexan-3-yl]hydrazine
CID 102929807
[7,7,7-Trifluoro-1-(2-methoxyethoxy)heptan-3-yl]hydrazine
CID 102929865
(8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-yl)hydrazine
CID 103025443
1-(2,2,2-Trifluoroethoxy)octan-3-amine
CID 103147993
1-(2,2,2-Trifluoroethoxy)undecan-3-amine
CID 103148064
1-(2,2,2-Trifluoroethoxy)tridecan-3-amine
CID 103148065
1-(2,2,2-Trifluoroethoxy)nonan-3-amine
CID 103148084
1-(2,2,2-Trifluoroethoxy)dodecan-3-amine
CID 103148186
1-(2,2-Difluoroethoxy)decan-3-amine
CID 103148809
1-(2,2-Difluoroethoxy)octan-3-amine
CID 103148850
1-(2,2-Difluoroethoxy)tridecan-3-amine
CID 103148946
1-(2,2-Difluoroethoxy)nonan-3-amine
CID 103148970

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)dodecan-3-ylhydrazine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)dodecan-3-ylhydrazine (CID 103151591) is 1-(2,2,2-trifluoroethoxy)dodecan-3-ylhydrazine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)dodecan-3-ylhydrazine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)dodecan-3-ylhydrazine is CCCCCCCCCC(CCOCC(F)(F)F)NN.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)dodecan-3-ylhydrazine?
The InChIKey is WXQHRJIIYAJACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29F3N2O/c1-2-3-4-5-6-7-8-9-13(19-18)10-11-20-12-14(15,16)17/h13,19H,2-12,18H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)dodecan-3-ylhydrazine?
1-(2,2,2-trifluoroethoxy)dodecan-3-ylhydrazine has a molecular weight of 298.39 g/mol, XLogP of 3.93, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)dodecan-3-ylhydrazine is sourced from PubChem (CID 103151591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).