hexanehydrazide;2,2,2-trifluoroacetic acid

C8H15F3N2O3 — CID 161488585

IUPAChexanehydrazide;2,2,2-trifluoroacetic acid
SMILESCCCCCC(=O)NN.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O.C2HF3O2/c1-2-3-4-5-6(9)8-7;3-2(4,5)1(6)7/h2-5,7H2,1H3,(H,8,9);(H,6,7)
InChIKeyWFHMMRHWZRBRSJ-UHFFFAOYSA-N
MW244.21 g/mol
LogP1.19
Rot. Bonds4

About hexanehydrazide;2,2,2-trifluoroacetic acid

hexanehydrazide;2,2,2-trifluoroacetic acid (PubChem CID 161488585) has the molecular formula C8H15F3N2O3 and a molecular weight of 244.21 g/mol. Its IUPAC name is hexanehydrazide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namehexanehydrazide;2,2,2-trifluoroacetic acid
PubChem CID161488585
Molecular FormulaC8H15F3N2O3
Molecular Weight244.21 g/mol
Exact Mass244.10
IUPAC Namehexanehydrazide;2,2,2-trifluoroacetic acid
SMILESCCCCCC(=O)NN.O=C(O)C(F)(F)F
InChIInChI=1S/C6H14N2O.C2HF3O2/c1-2-3-4-5-6(9)8-7;3-2(4,5)1(6)7/h2-5,7H2,1H3,(H,8,9);(H,6,7)
InChIKeyWFHMMRHWZRBRSJ-UHFFFAOYSA-N
XLogP1.19
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

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CID 18183822
2,2,2-trifluoroacetic acid;undecanoic acid
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(E)-octadec-9-enehydrazide
CID 6281873
4-pentylsulfanylbutanehydrazide
CID 107760917
pentane;2,2,2-trifluoroacetic acid
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octan-2-one;2,2,2-trifluoroacetic acid
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N,N-diaminohexanamide;2,2,2-trifluoroacetic acid
CID 174349968
nonadeca-8,12-dienehydrazide
CID 150104072
4-butylsulfanylbutanehydrazide
CID 63582322
[3-(4-aminobutanoyloxy)-2-(4-aminobutanoyloxymethyl)-2-(decanoylamino)propyl] 4-aminobutanoate;2,2,2-trifluoroacetic acid
CID 25269776
[3-(4-aminobutanoyloxy)-2-(4-aminobutanoyloxymethyl)-2-(hexadecanoylamino)propyl] 4-aminobutanoate;2,2,2-trifluoroacetic acid
CID 25270442

Frequently Asked Questions

What is the IUPAC name of hexanehydrazide;2,2,2-trifluoroacetic acid?
The IUPAC name of hexanehydrazide;2,2,2-trifluoroacetic acid (CID 161488585) is hexanehydrazide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for hexanehydrazide;2,2,2-trifluoroacetic acid?
The canonical SMILES for hexanehydrazide;2,2,2-trifluoroacetic acid is CCCCCC(=O)NN.O=C(O)C(F)(F)F.
What is the InChIKey of hexanehydrazide;2,2,2-trifluoroacetic acid?
The InChIKey is WFHMMRHWZRBRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O.C2HF3O2/c1-2-3-4-5-6(9)8-7;3-2(4,5)1(6)7/h2-5,7H2,1H3,(H,8,9);(H,6,7).
What are the key properties of hexanehydrazide;2,2,2-trifluoroacetic acid?
hexanehydrazide;2,2,2-trifluoroacetic acid has a molecular weight of 244.21 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexanehydrazide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 161488585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).