(7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid

C17H17F3N2O4 — CID 70060768

IUPAC(7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid
SMILESC=CCOc1c(OC)ccc2ccc(C=NN)cc12.O=C(O)C(F)(F)F
InChIInChI=1S/C15H16N2O2.C2HF3O2/c1-3-8-19-15-13-9-11(10-17-16)4-5-12(13)6-7-14(15)18-2;3-2(4,5)1(6)7/h3-7,9-10H,1,8,16H2,2H3;(H,6,7)
InChIKeyXTIHVCQVRXHANI-UHFFFAOYSA-N
MW370.33 g/mol
LogP3.34
Rot. Bonds5

About (7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid

(7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid (PubChem CID 70060768) has the molecular formula C17H17F3N2O4 and a molecular weight of 370.33 g/mol. Its IUPAC name is (7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid
PubChem CID70060768
Molecular FormulaC17H17F3N2O4
Molecular Weight370.33 g/mol
Exact Mass370.11
IUPAC Name(7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid
SMILESC=CCOc1c(OC)ccc2ccc(C=NN)cc12.O=C(O)C(F)(F)F
InChIInChI=1S/C15H16N2O2.C2HF3O2/c1-3-8-19-15-13-9-11(10-17-16)4-5-12(13)6-7-14(15)18-2;3-2(4,5)1(6)7/h3-7,9-10H,1,8,16H2,2H3;(H,6,7)
InChIKeyXTIHVCQVRXHANI-UHFFFAOYSA-N
XLogP3.34
TPSA94.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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

[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methylidenehydrazine
CID 168530887
2-hydroxy-N-[(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]propanamide
CID 3247960
3-(7-carbamimidoyl-2-methoxynaphthalen-1-yl)oxyprop-1-enyl 2,2,2-trifluoroacetate
CID 70060767
[[7-[(E)-hydrazinylidenemethyl]naphthalen-1-yl]-(2-phenylmethoxyacetyl)amino] 2,2,2-trifluoroacetate
CID 139912644
prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate
CID 53231025
3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoic acid
CID 68685212
(3-butoxy-4-methoxyphenyl)methylidenehydrazine
CID 168529239
(E)-3-(3-methoxy-2-prop-2-enoxyphenyl)prop-2-enoic acid
CID 43471785
2-acetamido-3-(4-methoxy-3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 4768018
2-[acetyl(methyl)amino]-3-[3-[(Z)-hydrazinylidenemethyl]phenyl]propanamide;2,2,2-trifluoroacetic acid
CID 87951505
3-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119249472
3-hydroxy-4-methoxy-2-prop-2-enoxybenzaldehyde
CID 86025869

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of (7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid (CID 70060768) is (7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid is C=CCOc1c(OC)ccc2ccc(C=NN)cc12.O=C(O)C(F)(F)F.
What is the InChIKey of (7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid?
The InChIKey is XTIHVCQVRXHANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2.C2HF3O2/c1-3-8-19-15-13-9-11(10-17-16)4-5-12(13)6-7-14(15)18-2;3-2(4,5)1(6)7/h3-7,9-10H,1,8,16H2,2H3;(H,6,7).
What are the key properties of (7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid?
(7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid has a molecular weight of 370.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-8-prop-2-enoxynaphthalen-2-yl)methylidenehydrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70060768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).