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

C15H31F3N2O — CID 103151590

IUPAC1-(2,2,2-trifluoroethoxy)tridecan-3-ylhydrazine
SMILESCCCCCCCCCCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C15H31F3N2O/c1-2-3-4-5-6-7-8-9-10-14(20-19)11-12-21-13-15(16,17)18/h14,20H,2-13,19H2,1H3
InChIKeyVPSLHRPJWYNOAL-UHFFFAOYSA-N
MW312.42 g/mol
LogP4.32
Rot. Bonds14

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

1-(2,2,2-trifluoroethoxy)tridecan-3-ylhydrazine (PubChem CID 103151590) has the molecular formula C15H31F3N2O and a molecular weight of 312.42 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)tridecan-3-ylhydrazine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)tridecan-3-ylhydrazine
PubChem CID103151590
Molecular FormulaC15H31F3N2O
Molecular Weight312.42 g/mol
Exact Mass312.24
IUPAC Name1-(2,2,2-trifluoroethoxy)tridecan-3-ylhydrazine
SMILESCCCCCCCCCCC(CCOCC(F)(F)F)NN
InChIInChI=1S/C15H31F3N2O/c1-2-3-4-5-6-7-8-9-10-14(20-19)11-12-21-13-15(16,17)18/h14,20H,2-13,19H2,1H3
InChIKeyVPSLHRPJWYNOAL-UHFFFAOYSA-N
XLogP4.32
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.32
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)tridecan-3-ylhydrazine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)tridecan-3-ylhydrazine (CID 103151590) is 1-(2,2,2-trifluoroethoxy)tridecan-3-ylhydrazine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)tridecan-3-ylhydrazine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)tridecan-3-ylhydrazine is CCCCCCCCCCC(CCOCC(F)(F)F)NN.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)tridecan-3-ylhydrazine?
The InChIKey is VPSLHRPJWYNOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31F3N2O/c1-2-3-4-5-6-7-8-9-10-14(20-19)11-12-21-13-15(16,17)18/h14,20H,2-13,19H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)tridecan-3-ylhydrazine?
1-(2,2,2-trifluoroethoxy)tridecan-3-ylhydrazine has a molecular weight of 312.42 g/mol, XLogP of 4.32, 14 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)tridecan-3-ylhydrazine is sourced from PubChem (CID 103151590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).