(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium

C11H15F2N4O2+ — CID 11935921

IUPAC(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium
SMILESCCOc1cc(/C=[NH+]\N=C(N)N)ccc1OC(F)F
InChIInChI=1S/C11H14F2N4O2/c1-2-18-9-5-7(6-16-17-11(14)15)3-4-8(9)19-10(12)13/h3-6,10H,2H2,1H3,(H4,14,15,17)/p+1/b16-6-
InChIKeyRWXOLDHSQDKTSO-SOFYXZRVSA-O
MW273.26 g/mol
LogP-0.63
Rot. Bonds6

About (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium

(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium (PubChem CID 11935921) has the molecular formula C11H15F2N4O2+ and a molecular weight of 273.26 g/mol. Its IUPAC name is (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium.

Molecular Properties

Compound Name(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium
PubChem CID11935921
Molecular FormulaC11H15F2N4O2+
Molecular Weight273.26 g/mol
Exact Mass273.12
IUPAC Name(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium
SMILESCCOc1cc(/C=[NH+]\N=C(N)N)ccc1OC(F)F
InChIInChI=1S/C11H14F2N4O2/c1-2-18-9-5-7(6-16-17-11(14)15)3-4-8(9)19-10(12)13/h3-6,10H,2H2,1H3,(H4,14,15,17)/p+1/b16-6-
InChIKeyRWXOLDHSQDKTSO-SOFYXZRVSA-O
XLogP-0.63
TPSA96.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enal
CID 79332023
[[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]thiourea
CID 76872315
(Z)-(diaminomethylideneamino)-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]azanium
CID 11935947
4-[2-(bromomethyl)-3-methylbut-1-enyl]-1-(difluoromethoxy)-2-ethoxybenzene
CID 79323633
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]-3-methylbutanal
CID 79335188
methyl (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoate
CID 71628157
2-chloro-N'-[4-(difluoromethoxy)-3-ethoxyphenyl]ethanimidamide
CID 169367630
N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylaniline
CID 9059368
tert-butyl (E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoate
CID 165486704
(3-ethoxy-4-propan-2-yloxyphenyl)methylidenehydrazine
CID 168529586
4-amino-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide
CID 9070784
3-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-methyl-N-propylprop-2-en-1-amine
CID 79343595

Frequently Asked Questions

What is the IUPAC name of (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium?
The IUPAC name of (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium (CID 11935921) is (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium.
What is the SMILES notation for (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium?
The canonical SMILES for (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium is CCOc1cc(/C=[NH+]\N=C(N)N)ccc1OC(F)F.
What is the InChIKey of (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium?
The InChIKey is RWXOLDHSQDKTSO-SOFYXZRVSA-O. The full InChI is InChI=1S/C11H14F2N4O2/c1-2-18-9-5-7(6-16-17-11(14)15)3-4-8(9)19-10(12)13/h3-6,10H,2H2,1H3,(H4,14,15,17)/p+1/b16-6-.
What are the key properties of (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium?
(Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium has a molecular weight of 273.26 g/mol, XLogP of -0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(diaminomethylideneamino)-[[4-(difluoromethoxy)-3-ethoxyphenyl]methylidene]azanium is sourced from PubChem (CID 11935921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).